2-[2-(4-chlorophenyl)ethylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide

C21H21ClN4O2 — CID 109331701

IUPAC2-[2-(4-chlorophenyl)ethylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(C)nc(NCCc3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C21H21ClN4O2/c1-14-12-19(20(27)25-17-4-3-5-18(13-17)28-2)26-21(24-14)23-11-10-15-6-8-16(22)9-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyHXUCOGHWKXSJOS-UHFFFAOYSA-N
MW396.88 g/mol
LogP4.35
Rot. Bonds7

About 2-[2-(4-chlorophenyl)ethylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide

2-[2-(4-chlorophenyl)ethylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109331701) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109331701
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Name2-[2-(4-chlorophenyl)ethylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(C)nc(NCCc3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C21H21ClN4O2/c1-14-12-19(20(27)25-17-4-3-5-18(13-17)28-2)26-21(24-14)23-11-10-15-6-8-16(22)9-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyHXUCOGHWKXSJOS-UHFFFAOYSA-N
XLogP4.35
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(butylamino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109320543
N-(4-fluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109331030
2-[(4-fluorophenyl)methylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109328692
2-[2-(4-fluorophenyl)ethylamino]-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109330842
N-(3-chlorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109330950
N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329281
N-(2,4-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109331038
2-[2-(4-chlorophenyl)ethylamino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319503
N-(3-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109192832
N-[2-(4-chlorophenyl)ethyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
CID 109323895
2-(3,5-dimethylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335915
2-(3-methoxyanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334663

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide (CID 109331701) is 2-[2-(4-chlorophenyl)ethylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide is COc1cccc(NC(=O)c2cc(C)nc(NCCc3ccc(Cl)cc3)n2)c1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is HXUCOGHWKXSJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-14-12-19(20(27)25-17-4-3-5-18(13-17)28-2)26-21(24-14)23-11-10-15-6-8-16(22)9-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,25,27)(H,23,24,26).
What are the key properties of 2-[2-(4-chlorophenyl)ethylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
2-[2-(4-chlorophenyl)ethylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 396.88 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109331701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).