Mepanipyrim

CAT: 1596-AR-M04191-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-M04191-01Size:10 Units

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

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CAS Number

110235-47-7

Molecular Formula

C14H13N3

Molecular Weight

223.28

API Name

Mepanipyrim

Chemical Information

Mepanipyrim

Mepanipyrim can cause cancer according to The Environmental Protection Agency (EPA).

CAS Number	110235-47-7
PubChem CID	86296
IUPAC Name	4-methyl-N-phenyl-6-prop-1-ynylpyrimidin-2-amine
Molecular Formula	C14H13N3
Molecular Weight	223.27
XLogP	3.3
Topological Polar Surface Area	37.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	295

SMILES

CC#CC1=NC(=NC(=C1)C)NC2=CC=CC=C2

InChI

InChI=1S/C14H13N3/c1-3-7-13-10-11(2)15-14(17-13)16-12-8-5-4-6-9-12/h4-6,8-10H,1-2H3,(H,15,16,17)

InChIKey

CIFWZNRJIBNXRE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 110235-47-7

CID: 86296

Formula: C14H13N3

MW: 223.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	223.27
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	223.110947427
Monoisotopic Mass	223.110947427
Topological Polar Surface Area	37.8 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	295
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
TRC-M223600-50MG	Mepanipyrim
TRC-M223605-10MG	Mepanipyrim-2-hydroxypropyl
TRC-E223602-50MG	Mepanipyrim Phenyl-d5
LCS-6032	1000 ug/mL Mepanipyrim in LCMS Acetonitrile - 1ML