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

C20H19ClN4O2 — CID 109306395

IUPACN-(3-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCOc1ccc(CNc2nccc(C(=O)Nc3cccc(Cl)c3C)n2)cc1
InChIInChI=1S/C20H19ClN4O2/c1-13-16(21)4-3-5-17(13)24-19(26)18-10-11-22-20(25-18)23-12-14-6-8-15(27-2)9-7-14/h3-11H,12H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyPORBLGXRXLPQHK-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.31
Rot. Bonds6

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

N-(3-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide (PubChem CID 109306395) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
PubChem CID109306395
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCOc1ccc(CNc2nccc(C(=O)Nc3cccc(Cl)c3C)n2)cc1
InChIInChI=1S/C20H19ClN4O2/c1-13-16(21)4-3-5-17(13)24-19(26)18-10-11-22-20(25-18)23-12-14-6-8-15(27-2)9-7-14/h3-11H,12H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyPORBLGXRXLPQHK-UHFFFAOYSA-N
XLogP4.31
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308845
N-(3-chloro-2-methylphenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282542
2-[(4-methoxyphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109306366
N-(3-chloro-2-methylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307803
N-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109306411
2-[(3,4-dimethoxyphenyl)methylamino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109309861
N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109305549
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
6-N-(3-chloro-2-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100872
N-(2,3-dimethylphenyl)-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212284
N-(4-acetylphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109306415

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide (CID 109306395) is N-(3-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide is COc1ccc(CNc2nccc(C(=O)Nc3cccc(Cl)c3C)n2)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide?
The InChIKey is PORBLGXRXLPQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-13-16(21)4-3-5-17(13)24-19(26)18-10-11-22-20(25-18)23-12-14-6-8-15(27-2)9-7-14/h3-11H,12H2,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide?
N-(3-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 4.31, 6 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-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109306395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).