2-amino-N,4-dimethyl-6-(4-methylphenyl)pyrimidine-5-carboxamide

C14H16N4O — CID 54854058

IUPAC2-amino-N,4-dimethyl-6-(4-methylphenyl)pyrimidine-5-carboxamide
SMILESCNC(=O)c1c(C)nc(N)nc1-c1ccc(C)cc1
InChIInChI=1S/C14H16N4O/c1-8-4-6-10(7-5-8)12-11(13(19)16-3)9(2)17-14(15)18-12/h4-7H,1-3H3,(H,16,19)(H2,15,17,18)
InChIKeyQKXAGEZYSSDUAH-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.70
Rot. Bonds2

About 2-amino-N,4-dimethyl-6-(4-methylphenyl)pyrimidine-5-carboxamide

2-amino-N,4-dimethyl-6-(4-methylphenyl)pyrimidine-5-carboxamide (PubChem CID 54854058) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-amino-N,4-dimethyl-6-(4-methylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N,4-dimethyl-6-(4-methylphenyl)pyrimidine-5-carboxamide
PubChem CID54854058
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-amino-N,4-dimethyl-6-(4-methylphenyl)pyrimidine-5-carboxamide
SMILESCNC(=O)c1c(C)nc(N)nc1-c1ccc(C)cc1
InChIInChI=1S/C14H16N4O/c1-8-4-6-10(7-5-8)12-11(13(19)16-3)9(2)17-14(15)18-12/h4-7H,1-3H3,(H,16,19)(H2,15,17,18)
InChIKeyQKXAGEZYSSDUAH-UHFFFAOYSA-N
XLogP1.70
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N,4-dimethyl-6-(4-methylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N,4-dimethyl-6-(4-methylphenyl)pyrimidine-5-carboxamide (CID 54854058) is 2-amino-N,4-dimethyl-6-(4-methylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N,4-dimethyl-6-(4-methylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N,4-dimethyl-6-(4-methylphenyl)pyrimidine-5-carboxamide is CNC(=O)c1c(C)nc(N)nc1-c1ccc(C)cc1.
What is the InChIKey of 2-amino-N,4-dimethyl-6-(4-methylphenyl)pyrimidine-5-carboxamide?
The InChIKey is QKXAGEZYSSDUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-8-4-6-10(7-5-8)12-11(13(19)16-3)9(2)17-14(15)18-12/h4-7H,1-3H3,(H,16,19)(H2,15,17,18).
What are the key properties of 2-amino-N,4-dimethyl-6-(4-methylphenyl)pyrimidine-5-carboxamide?
2-amino-N,4-dimethyl-6-(4-methylphenyl)pyrimidine-5-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,4-dimethyl-6-(4-methylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 54854058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).