2-Methyl-4-phenylpyrimidine

CAT: 0127-OR1072378-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1072378-01Size:100 mg

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CAS Number

21203-79-2

MDL Number

MFCD00234721

Purity

95%

Smiles

CC1=NC=CC(C2=CC=CC=C2)=N1

Chemical Information

2-Methyl-4-phenylpyrimidine

CAS Number	21203-79-2
PubChem CID	598374
IUPAC Name	2-methyl-4-phenylpyrimidine
Molecular Formula	C11H10N2
Molecular Weight	170.21
XLogP	2.3
Topological Polar Surface Area	25.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	152

SMILES

CC1=NC=CC(=N1)C2=CC=CC=C2

InChI

InChI=1S/C11H10N2/c1-9-12-8-7-11(13-9)10-5-3-2-4-6-10/h2-8H,1H3

InChIKey

DNXHGGGLGZKHIG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 21203-79-2

CID: 598374

Formula: C11H10N2

MW: 170.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	170.21
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	170.084398327
Monoisotopic Mass	170.084398327
Topological Polar Surface Area	25.8 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	152
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
OR1040219-01	4-Chloro-2-methyl-6-phenylpyrimidine
OR76722-01	2-Chloro-4-methyl-6-phenylpyrimidine
OR23333-01	5- (Hydroxymethyl) -4-methyl-2-phenylpyrimidine
OR1055796-01	4-Chloro-6-methyl-2-phenylpyrimidine
OR97939	2-Amino-5-methyl-4-phenylpyrimidine
OR23332	4-Methyl-2-phenylpyrimidine-5-carboxaldehyde
OR1058819-01	5-Methyl-2-phenylpyrimidine
OR23331	4-Methyl-2-phenylpyrimidine-5-carboxylic acid
OR1059574-01	4,6-Dichloro-2-methyl-5-phenylpyrimidine
OR97070-01	Methyl 2-phenylpyrimidine-5-carboxylate

Catalog	Name
sc-262629	5-Formyl-4-methyl-2-phenylpyrimidine
sc-357758	4-Hydroxy-2-methyl-6-phenylpyrimidine
sc-290196	4-chloro-6-methyl-2-phenylpyrimidine
sc-277514	4-methyl-6-phenylpyrimidine-2-thiol
454813-01	Methyl 2-amino-4-phenylpyrimidine-5-carboxylate
sc-353574A	Ethyl 6-methyl-2-phenylpyrimidine-4-carboxylate
sc-357146A	6-methyl-2-phenylpyrimidine-4-carboxylic acid
sc-262079A	4-Methyl-2-phenylpyrimidine-5-carboxylic acid
NM44261-01	2-Methylsulfanyl-4-phenylpyrimidine
sc-321673A	2-Chloro-4-phenylpyrimidine