4-methyl-N-(3-methylphenyl)pyrimidin-2-amine

C12H13N3 — CID 12817737

IUPAC4-methyl-N-(3-methylphenyl)pyrimidin-2-amine
SMILESCc1cccc(Nc2nccc(C)n2)c1
InChIInChI=1S/C12H13N3/c1-9-4-3-5-11(8-9)15-12-13-7-6-10(2)14-12/h3-8H,1-2H3,(H,13,14,15)
InChIKeyNZZCDDNAGDZRKZ-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.84
Rot. Bonds2

About 4-methyl-N-(3-methylphenyl)pyrimidin-2-amine

4-methyl-N-(3-methylphenyl)pyrimidin-2-amine (PubChem CID 12817737) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 4-methyl-N-(3-methylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-(3-methylphenyl)pyrimidin-2-amine
PubChem CID12817737
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name4-methyl-N-(3-methylphenyl)pyrimidin-2-amine
SMILESCc1cccc(Nc2nccc(C)n2)c1
InChIInChI=1S/C12H13N3/c1-9-4-3-5-11(8-9)15-12-13-7-6-10(2)14-12/h3-8H,1-2H3,(H,13,14,15)
InChIKeyNZZCDDNAGDZRKZ-UHFFFAOYSA-N
XLogP2.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-4-phenylpyrimidin-2-amine
CID 20772097
N-(3-bromo-5-methylphenyl)-4-methylpyrimidin-2-amine
CID 67249356
2-N-(4-bromophenyl)-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112901881
N-(2-methoxy-4-pyridinyl)-4-methylpyrimidin-2-amine
CID 66596222
4-N-(3,4-dichlorophenyl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112901934
ethane;N-(3-methylphenyl)-4-pyridin-3-ylpyrimidin-2-amine
CID 90795343
N,N-dimethyl-3-[(4-methylpyrimidin-2-yl)amino]benzenesulfonamide
CID 123424384
4-(5-aminothiophen-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine
CID 59468418
4-N-(3-methylbutyl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112900149
4-methyl-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 171509337
sodium;4-(2-chloro-4-pyridinyl)-N-(3-methylphenyl)pyrimidin-2-amine;hydroxide
CID 23720657
4-[2-(3-methylanilino)pyrimidin-4-yl]-1H-pyridin-2-one
CID 170970812

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-methyl-N-(3-methylphenyl)pyrimidin-2-amine (CID 12817737) is 4-methyl-N-(3-methylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-(3-methylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-(3-methylphenyl)pyrimidin-2-amine is Cc1cccc(Nc2nccc(C)n2)c1.
What is the InChIKey of 4-methyl-N-(3-methylphenyl)pyrimidin-2-amine?
The InChIKey is NZZCDDNAGDZRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-9-4-3-5-11(8-9)15-12-13-7-6-10(2)14-12/h3-8H,1-2H3,(H,13,14,15).
What are the key properties of 4-methyl-N-(3-methylphenyl)pyrimidin-2-amine?
4-methyl-N-(3-methylphenyl)pyrimidin-2-amine has a molecular weight of 199.26 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 12817737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).