2-[(4-chlorophenyl)methylamino]-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide

C21H21ClN4O2 — CID 109329006

IUPAC2-[(4-chlorophenyl)methylamino]-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc(C)nc(NCc2ccc(Cl)cc2)n1
InChIInChI=1S/C21H21ClN4O2/c1-13-4-9-19(28-3)17(10-13)25-20(27)18-11-14(2)24-21(26-18)23-12-15-5-7-16(22)8-6-15/h4-11H,12H2,1-3H3,(H,25,27)(H,23,24,26)
InChIKeyBHYFDQMMQSDIFU-UHFFFAOYSA-N
MW396.88 g/mol
LogP4.62
Rot. Bonds6

About 2-[(4-chlorophenyl)methylamino]-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide

2-[(4-chlorophenyl)methylamino]-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109329006) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylamino]-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylamino]-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109329006
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Name2-[(4-chlorophenyl)methylamino]-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc(C)nc(NCc2ccc(Cl)cc2)n1
InChIInChI=1S/C21H21ClN4O2/c1-13-4-9-19(28-3)17(10-13)25-20(27)18-11-14(2)24-21(26-18)23-12-15-5-7-16(22)8-6-15/h4-11H,12H2,1-3H3,(H,25,27)(H,23,24,26)
InChIKeyBHYFDQMMQSDIFU-UHFFFAOYSA-N
XLogP4.62
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327859
N-(4-chlorophenyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327842
N-(2,4-dimethylphenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329264
N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329281
N-[(4-chlorophenyl)methyl]-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327781
2-(2-chloroanilino)-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336963
2-[(4-chlorophenyl)methylamino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319479
N-(2,5-dimethylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109335777
N-(5-chloro-2-methoxyphenyl)-6-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109334919
N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327800
N-(2-fluorophenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329277
N-(2-methoxy-5-methylphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256299

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylamino]-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-[(4-chlorophenyl)methylamino]-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide (CID 109329006) is 2-[(4-chlorophenyl)methylamino]-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylamino]-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylamino]-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide is COc1ccc(C)cc1NC(=O)c1cc(C)nc(NCc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[(4-chlorophenyl)methylamino]-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is BHYFDQMMQSDIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-13-4-9-19(28-3)17(10-13)25-20(27)18-11-14(2)24-21(26-18)23-12-15-5-7-16(22)8-6-15/h4-11H,12H2,1-3H3,(H,25,27)(H,23,24,26).
What are the key properties of 2-[(4-chlorophenyl)methylamino]-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide?
2-[(4-chlorophenyl)methylamino]-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 396.88 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylamino]-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109329006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).