2-amino-N-benzyl-4-methylpyrimidine-5-carboxamide

C13H14N4O — CID 1487920

IUPAC2-amino-N-benzyl-4-methylpyrimidine-5-carboxamide
SMILESCc1nc(N)ncc1C(=O)NCc1ccccc1
InChIInChI=1S/C13H14N4O/c1-9-11(8-16-13(14)17-9)12(18)15-7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,15,18)(H2,14,16,17)
InChIKeySLEJVZCGMSRWKL-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.30
Rot. Bonds3

About 2-amino-N-benzyl-4-methylpyrimidine-5-carboxamide

2-amino-N-benzyl-4-methylpyrimidine-5-carboxamide (PubChem CID 1487920) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-amino-N-benzyl-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-benzyl-4-methylpyrimidine-5-carboxamide
PubChem CID1487920
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name2-amino-N-benzyl-4-methylpyrimidine-5-carboxamide
SMILESCc1nc(N)ncc1C(=O)NCc1ccccc1
InChIInChI=1S/C13H14N4O/c1-9-11(8-16-13(14)17-9)12(18)15-7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,15,18)(H2,14,16,17)
InChIKeySLEJVZCGMSRWKL-UHFFFAOYSA-N
XLogP1.30
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2,4-dimethylpyrimidine-5-carboxamide
CID 53007173
2-amino-4-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 91798076
5-amino-N-benzyl-2-methylpyridine-3-carboxamide
CID 54917003
4-methyl-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 110852258
N-[(4-chlorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 53007174
N-benzyl-2,3-dimethylpyridine-4-carboxamide
CID 110850641
2-(benzylamino)-4-methyl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide
CID 20959702
2-(benzylamino)-4-methyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide
CID 20959691
4-amino-N-benzyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 53143942
5-amino-N-benzyl-1-methylpyrazole-4-carboxamide
CID 13174826
2,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrimidine-5-carboxamide
CID 53080175
4-amino-N-benzyl-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 83567447

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-benzyl-4-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-benzyl-4-methylpyrimidine-5-carboxamide (CID 1487920) is 2-amino-N-benzyl-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-benzyl-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-benzyl-4-methylpyrimidine-5-carboxamide is Cc1nc(N)ncc1C(=O)NCc1ccccc1.
What is the InChIKey of 2-amino-N-benzyl-4-methylpyrimidine-5-carboxamide?
The InChIKey is SLEJVZCGMSRWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-9-11(8-16-13(14)17-9)12(18)15-7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,15,18)(H2,14,16,17).
What are the key properties of 2-amino-N-benzyl-4-methylpyrimidine-5-carboxamide?
2-amino-N-benzyl-4-methylpyrimidine-5-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-benzyl-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 1487920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).