N-benzyl-2,4-dimethylpyrimidine-5-carboxamide

C14H15N3O — CID 53007173

IUPACN-benzyl-2,4-dimethylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCc2ccccc2)c(C)n1
InChIInChI=1S/C14H15N3O/c1-10-13(9-15-11(2)17-10)14(18)16-8-12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H,16,18)
InChIKeyVWIHBIWKBHWXIJ-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.02
Rot. Bonds3

About N-benzyl-2,4-dimethylpyrimidine-5-carboxamide

N-benzyl-2,4-dimethylpyrimidine-5-carboxamide (PubChem CID 53007173) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-benzyl-2,4-dimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2,4-dimethylpyrimidine-5-carboxamide
PubChem CID53007173
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-benzyl-2,4-dimethylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCc2ccccc2)c(C)n1
InChIInChI=1S/C14H15N3O/c1-10-13(9-15-11(2)17-10)14(18)16-8-12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H,16,18)
InChIKeyVWIHBIWKBHWXIJ-UHFFFAOYSA-N
XLogP2.02
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 53007174
2-amino-N-benzyl-4-methylpyrimidine-5-carboxamide
CID 1487920
2,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrimidine-5-carboxamide
CID 53080175
4-methyl-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 110852258
3-[(2,4-dimethylpyrimidine-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701052
N-benzyl-2,3-dimethylpyridine-4-carboxamide
CID 110850641
5-amino-N-benzyl-2-methylpyridine-3-carboxamide
CID 54917003
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
N-benzhydryl-2,4-dimethylpyrimidine-5-carboxamide
CID 92648536
N-(2-hydroxy-1-phenylethyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 110001315
2-ethyl-4-methyl-N-[(4-propoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 53080162

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,4-dimethylpyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-2,4-dimethylpyrimidine-5-carboxamide (CID 53007173) is N-benzyl-2,4-dimethylpyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-2,4-dimethylpyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-2,4-dimethylpyrimidine-5-carboxamide is Cc1ncc(C(=O)NCc2ccccc2)c(C)n1.
What is the InChIKey of N-benzyl-2,4-dimethylpyrimidine-5-carboxamide?
The InChIKey is VWIHBIWKBHWXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-10-13(9-15-11(2)17-10)14(18)16-8-12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H,16,18).
What are the key properties of N-benzyl-2,4-dimethylpyrimidine-5-carboxamide?
N-benzyl-2,4-dimethylpyrimidine-5-carboxamide has a molecular weight of 241.29 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,4-dimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 53007173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).