2-(5-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide

C21H21ClN4O2 — CID 109329355

IUPAC2-(5-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(C)nc(Nc3cc(Cl)ccc3C)n2)cc1
InChIInChI=1S/C21H21ClN4O2/c1-13-4-7-16(22)11-18(13)25-21-24-14(2)10-19(26-21)20(27)23-12-15-5-8-17(28-3)9-6-15/h4-11H,12H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeySXVQJAOCFBIEBL-UHFFFAOYSA-N
MW396.88 g/mol
LogP4.43
Rot. Bonds6

About 2-(5-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide

2-(5-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide (PubChem CID 109329355) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is 2-(5-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(5-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
PubChem CID109329355
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Name2-(5-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(C)nc(Nc3cc(Cl)ccc3C)n2)cc1
InChIInChI=1S/C21H21ClN4O2/c1-13-4-7-16(22)11-18(13)25-21-24-14(2)10-19(26-21)20(27)23-12-15-5-8-17(28-3)9-6-15/h4-11H,12H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeySXVQJAOCFBIEBL-UHFFFAOYSA-N
XLogP4.43
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 ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329352
2-(2,5-dimethylanilino)-6-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327931
2-(2,6-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329340
2-(5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
CID 109327005
2-(2,5-dimethylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328764
2-(5-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109171227
2-[4-(dimethylamino)anilino]-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329366
2-(5-chloro-2-methoxyanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337405
2-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109319676
N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329281
2-(5-chloro-2-methylanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109335156
N-[(4-chlorophenyl)methyl]-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327781

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(5-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide (CID 109329355) is 2-(5-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(5-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(5-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide is COc1ccc(CNC(=O)c2cc(C)nc(Nc3cc(Cl)ccc3C)n2)cc1.
What is the InChIKey of 2-(5-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide?
The InChIKey is SXVQJAOCFBIEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-13-4-7-16(22)11-18(13)25-21-24-14(2)10-19(26-21)20(27)23-12-15-5-8-17(28-3)9-6-15/h4-11H,12H2,1-3H3,(H,23,27)(H,24,25,26).
What are the key properties of 2-(5-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide?
2-(5-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide has a molecular weight of 396.88 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109329355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).