N-[(4-chlorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide

C14H14ClN3O — CID 53007174

IUPACN-[(4-chlorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCc2ccc(Cl)cc2)c(C)n1
InChIInChI=1S/C14H14ClN3O/c1-9-13(8-16-10(2)18-9)14(19)17-7-11-3-5-12(15)6-4-11/h3-6,8H,7H2,1-2H3,(H,17,19)
InChIKeyBJLZYICDNJZWNW-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.68
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide

N-[(4-chlorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide (PubChem CID 53007174) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide
PubChem CID53007174
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC NameN-[(4-chlorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCc2ccc(Cl)cc2)c(C)n1
InChIInChI=1S/C14H14ClN3O/c1-9-13(8-16-10(2)18-9)14(19)17-7-11-3-5-12(15)6-4-11/h3-6,8H,7H2,1-2H3,(H,17,19)
InChIKeyBJLZYICDNJZWNW-UHFFFAOYSA-N
XLogP2.68
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2,4-dimethylpyrimidine-5-carboxamide
CID 53007173
2,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrimidine-5-carboxamide
CID 53080175
N-[(1R)-1-(4-chlorophenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 92648544
2-amino-N-benzyl-4-methylpyrimidine-5-carboxamide
CID 1487920
2-amino-4-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 91798076
2-ethyl-4-methyl-N-[(4-propoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 53080162
N-[(4-chlorophenyl)methyl]-7-methyl-4-oxopyrimido[1,2-b]pyridazine-3-carboxamide
CID 20583289
N-[(4-chlorophenyl)methyl]-2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
CID 53365283
1-[(4-chlorophenyl)methyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea
CID 47323613
6-chloro-N-[(4-fluorophenyl)methyl]-2-methylquinoline-3-carboxamide
CID 41377444
3-(3,5-dichlorophenyl)-2-[(2,4-dimethylpyrimidine-5-carbonyl)amino]propanoic acid
CID 120533063
4-methyl-N-[(4-methylphenyl)methyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 66505324

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide (CID 53007174) is N-[(4-chlorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide is Cc1ncc(C(=O)NCc2ccc(Cl)cc2)c(C)n1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide?
The InChIKey is BJLZYICDNJZWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-9-13(8-16-10(2)18-9)14(19)17-7-11-3-5-12(15)6-4-11/h3-6,8H,7H2,1-2H3,(H,17,19).
What are the key properties of N-[(4-chlorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide?
N-[(4-chlorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide has a molecular weight of 275.74 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 53007174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).