2-(5-chloro-2-methoxyanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide

C20H19ClN4O2 — CID 109304925

IUPAC2-(5-chloro-2-methoxyanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1Nc1nccc(C(=O)NC(C)c2ccccc2)n1
InChIInChI=1S/C20H19ClN4O2/c1-13(14-6-4-3-5-7-14)23-19(26)16-10-11-22-20(24-16)25-17-12-15(21)8-9-18(17)27-2/h3-13H,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyUPJOLDKVMONHSK-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.37
Rot. Bonds6

About 2-(5-chloro-2-methoxyanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide

2-(5-chloro-2-methoxyanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide (PubChem CID 109304925) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
PubChem CID109304925
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name2-(5-chloro-2-methoxyanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1Nc1nccc(C(=O)NC(C)c2ccccc2)n1
InChIInChI=1S/C20H19ClN4O2/c1-13(14-6-4-3-5-7-14)23-19(26)16-10-11-22-20(24-16)25-17-12-15(21)8-9-18(17)27-2/h3-13H,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyUPJOLDKVMONHSK-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109295047
2-(2,4-dimethylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109304896
N-(2,5-dimethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304802
N-(2-methoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304794
2-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303517
1-(5-chloro-2-methoxyphenyl)-3-(1-phenylethyl)urea
CID 23931434
2-(2-chloro-4,6-dimethylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109304923
N-(5-chloro-2-methoxyphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109317470
2-[2-(2-methoxyphenyl)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109304859
N-(5-chloro-2-methoxyphenyl)-N'-(1-phenylethyl)oxamide
CID 2986502
N-(5-chloro-2-methoxyphenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 7378760
N-(1,3-benzodioxol-5-yl)-2-(5-chloro-2-methoxyanilino)pyrimidine-4-carboxamide
CID 109317459

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(5-chloro-2-methoxyanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide (CID 109304925) is 2-(5-chloro-2-methoxyanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(5-chloro-2-methoxyanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(5-chloro-2-methoxyanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide is COc1ccc(Cl)cc1Nc1nccc(C(=O)NC(C)c2ccccc2)n1.
What is the InChIKey of 2-(5-chloro-2-methoxyanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The InChIKey is UPJOLDKVMONHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-13(14-6-4-3-5-7-14)23-19(26)16-10-11-22-20(24-16)25-17-12-15(21)8-9-18(17)27-2/h3-13H,1-2H3,(H,23,26)(H,22,24,25).
What are the key properties of 2-(5-chloro-2-methoxyanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide?
2-(5-chloro-2-methoxyanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 4.37, 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-methoxyanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109304925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).