4-amino-6-methyl-2-(2-methylphenyl)pyrimidine-5-carboxamide

C13H14N4O — CID 116648136

IUPAC4-amino-6-methyl-2-(2-methylphenyl)pyrimidine-5-carboxamide
SMILESCc1ccccc1-c1nc(C)c(C(N)=O)c(N)n1
InChIInChI=1S/C13H14N4O/c1-7-5-3-4-6-9(7)13-16-8(2)10(12(15)18)11(14)17-13/h3-6H,1-2H3,(H2,15,18)(H2,14,16,17)
InChIKeyXRHRPFADCXMAEL-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.44
Rot. Bonds2

About 4-amino-6-methyl-2-(2-methylphenyl)pyrimidine-5-carboxamide

4-amino-6-methyl-2-(2-methylphenyl)pyrimidine-5-carboxamide (PubChem CID 116648136) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-amino-6-methyl-2-(2-methylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-6-methyl-2-(2-methylphenyl)pyrimidine-5-carboxamide
PubChem CID116648136
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name4-amino-6-methyl-2-(2-methylphenyl)pyrimidine-5-carboxamide
SMILESCc1ccccc1-c1nc(C)c(C(N)=O)c(N)n1
InChIInChI=1S/C13H14N4O/c1-7-5-3-4-6-9(7)13-16-8(2)10(12(15)18)11(14)17-13/h3-6H,1-2H3,(H2,15,18)(H2,14,16,17)
InChIKeyXRHRPFADCXMAEL-UHFFFAOYSA-N
XLogP1.44
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methyl-2-(2-methylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-6-methyl-2-(2-methylphenyl)pyrimidine-5-carboxamide (CID 116648136) is 4-amino-6-methyl-2-(2-methylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-6-methyl-2-(2-methylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-6-methyl-2-(2-methylphenyl)pyrimidine-5-carboxamide is Cc1ccccc1-c1nc(C)c(C(N)=O)c(N)n1.
What is the InChIKey of 4-amino-6-methyl-2-(2-methylphenyl)pyrimidine-5-carboxamide?
The InChIKey is XRHRPFADCXMAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-7-5-3-4-6-9(7)13-16-8(2)10(12(15)18)11(14)17-13/h3-6H,1-2H3,(H2,15,18)(H2,14,16,17).
What are the key properties of 4-amino-6-methyl-2-(2-methylphenyl)pyrimidine-5-carboxamide?
4-amino-6-methyl-2-(2-methylphenyl)pyrimidine-5-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methyl-2-(2-methylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 116648136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).