2-(2-chloroanilino)-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide

C20H19ClN4O — CID 109267813

IUPAC2-(2-chloroanilino)-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1cnc(Nc2ccccc2Cl)nc1
InChIInChI=1S/C20H19ClN4O/c1-13(2)15-7-3-5-9-17(15)24-19(26)14-11-22-20(23-12-14)25-18-10-6-4-8-16(18)21/h3-13H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyKNAAYIZLQNAXKV-UHFFFAOYSA-N
MW366.85 g/mol
LogP5.25
Rot. Bonds5

About 2-(2-chloroanilino)-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide

2-(2-chloroanilino)-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide (PubChem CID 109267813) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 2-(2-chloroanilino)-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2-chloroanilino)-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide
PubChem CID109267813
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name2-(2-chloroanilino)-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1cnc(Nc2ccccc2Cl)nc1
InChIInChI=1S/C20H19ClN4O/c1-13(2)15-7-3-5-9-17(15)24-19(26)14-11-22-20(23-12-14)25-18-10-6-4-8-16(18)21/h3-13H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyKNAAYIZLQNAXKV-UHFFFAOYSA-N
XLogP5.25
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.85
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-2-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109267816
N-(2-chlorophenyl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109268171
2-(2-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109268651
N-(3-chlorophenyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109267863
2-(2-chloroanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109268652
N-(2-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109268603
N-tert-butyl-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109262867
2,6-dichloro-N-(2-propan-2-ylphenyl)benzamide
CID 4547297
N-(3-methylphenyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109265491
2-(2-chloroanilino)-N-(2,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109268688
2-[2,6-di(propan-2-yl)anilino]-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109268366
2-[2-(dimethylamino)ethylamino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109252945

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(2-chloroanilino)-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide (CID 109267813) is 2-(2-chloroanilino)-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-chloroanilino)-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-chloroanilino)-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide is CC(C)c1ccccc1NC(=O)c1cnc(Nc2ccccc2Cl)nc1.
What is the InChIKey of 2-(2-chloroanilino)-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide?
The InChIKey is KNAAYIZLQNAXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-13(2)15-7-3-5-9-17(15)24-19(26)14-11-22-20(23-12-14)25-18-10-6-4-8-16(18)21/h3-13H,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of 2-(2-chloroanilino)-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide?
2-(2-chloroanilino)-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 5.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109267813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).