4-Iodo-6-methylpyrimidine

CAT: 0926-DFC86535-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-DFC86535-01Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1378865-35-0

MDL Number

MFCD17168868

Smiles

CC1=CC (=NC=N1) I

Molecular Formula

C5H5IN2

Molecular Weight

220.01 g/mol

Controlled

Chemical Information

4-Iodo-6-methylpyrimidine

CAS Number	1378865-35-0
PubChem CID	88316898
IUPAC Name	4-iodo-6-methylpyrimidine
Molecular Formula	C5H5IN2
Molecular Weight	220.01
XLogP	0.9
Topological Polar Surface Area	25.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	76

SMILES

CC1=CC(=NC=N1)I

InChI

InChI=1S/C5H5IN2/c1-4-2-5(6)8-3-7-4/h2-3H,1H3

InChIKey

GHNXXBPTGLYEML-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1378865-35-0

CID: 88316898

Formula: C5H5IN2

MW: 220.01

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	220.01
XLogP3	0.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	219.94975
Monoisotopic Mass	219.94975
Topological Polar Surface Area	25.8 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	76.8
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
JDA58649-01	4-Iodo-2-methylpyrimidine
PHA81094-01	5-Iodo-6-methylpyrimidine-2,4-diamine
SKC86366-01	4-Chloro-2-cyclopropyl-5-iodo-6-methylpyrimidine
KCD02853-01	2-Cyclopropyl-5-iodo-4-methylpyrimidine
LEA07917-01	4-chloro-5-iodo-2-methylpyrimidine
KAC85919-01	5-Bromo-2-iodo-4-methylpyrimidine
XHC60627-01	5-Iodo-2-methylpyrimidine
FI164823	2-Iodo-5-methylpyrimidine
BAA07353-01	6-Methylpyrimidine-4-carbaldehyde
IBA59243-01	4-Hydrazinyl-6-methylpyrimidine

Catalog	Name
430294-01	4-Amino-6-iodo-2-methylpyrimidine
OR76817-01	4-Chloro-5-iodo-6-methylpyrimidine
OR62052	5-Iodo-6-methylpyrimidine-2,4-diamine
OR86703-01	4,6-Dichloro-5-iodo-2-methylpyrimidine
OR62053-01	2-Amino-4-chloro-5-iodo-6-methylpyrimidine
OR43601-01	4-Chloro-5-iodo-6-hydroxy-2-methylpyrimidine
OR1004622	5-Iodo-6-methylpyrimidine-2,4 (1H,3H) -dione
OR93272-01	5-Chloro-2-iodo-4-methylpyrimidine
OR1046020-01	5-Bromo-2-iodo-4-methylpyrimidine
431147-01	4-Bromo-6-methylpyrimidine