N-(3-chloro-2-methylphenyl)-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide

C21H21ClN4O2 — CID 109308845

IUPACN-(3-chloro-2-methylphenyl)-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
SMILESCOc1ccc(CCNc2nccc(C(=O)Nc3cccc(Cl)c3C)n2)cc1
InChIInChI=1S/C21H21ClN4O2/c1-14-17(22)4-3-5-18(14)25-20(27)19-11-13-24-21(26-19)23-12-10-15-6-8-16(28-2)9-7-15/h3-9,11,13H,10,12H2,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyYNWIWLDNTMMNHE-UHFFFAOYSA-N
MW396.88 g/mol
LogP4.35
Rot. Bonds7

About N-(3-chloro-2-methylphenyl)-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide

N-(3-chloro-2-methylphenyl)-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide (PubChem CID 109308845) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
PubChem CID109308845
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
SMILESCOc1ccc(CCNc2nccc(C(=O)Nc3cccc(Cl)c3C)n2)cc1
InChIInChI=1S/C21H21ClN4O2/c1-14-17(22)4-3-5-18(14)25-20(27)19-11-13-24-21(26-19)23-12-10-15-6-8-16(28-2)9-7-15/h3-9,11,13H,10,12H2,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyYNWIWLDNTMMNHE-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

N-(3-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109306395
N-(3-chloro-2-methylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307803
N-(2,3-dimethylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307786
N-[(2-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109305856
N-(4-methoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308723
N-(2,4-dimethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308438
N-(2-chlorophenyl)-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299706
N'-(3-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 7585293
N-(3-chloro-2-methylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide
CID 109315663
2-(2-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109316704
N-cyclopentyl-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109298072
2-[2-(4-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide
CID 109308814

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide (CID 109308845) is N-(3-chloro-2-methylphenyl)-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide is COc1ccc(CCNc2nccc(C(=O)Nc3cccc(Cl)c3C)n2)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide?
The InChIKey is YNWIWLDNTMMNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-14-17(22)4-3-5-18(14)25-20(27)19-11-13-24-21(26-19)23-12-10-15-6-8-16(28-2)9-7-15/h3-9,11,13H,10,12H2,1-2H3,(H,25,27)(H,23,24,26).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide?
N-(3-chloro-2-methylphenyl)-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-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 N-(3-chloro-2-methylphenyl)-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109308845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).