N-(3-chlorophenyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide

C20H19ClN4O — CID 109267863

IUPACN-(3-chlorophenyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
SMILESCC(C)c1ccccc1Nc1ncc(C(=O)Nc2cccc(Cl)c2)cn1
InChIInChI=1S/C20H19ClN4O/c1-13(2)17-8-3-4-9-18(17)25-20-22-11-14(12-23-20)19(26)24-16-7-5-6-15(21)10-16/h3-13H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyAIFVGOIWKZVZNE-UHFFFAOYSA-N
MW366.85 g/mol
LogP5.25
Rot. Bonds5

About N-(3-chlorophenyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide

N-(3-chlorophenyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide (PubChem CID 109267863) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
PubChem CID109267863
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC NameN-(3-chlorophenyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
SMILESCC(C)c1ccccc1Nc1ncc(C(=O)Nc2cccc(Cl)c2)cn1
InChIInChI=1S/C20H19ClN4O/c1-13(2)17-8-3-4-9-18(17)25-20-22-11-14(12-23-20)19(26)24-16-7-5-6-15(21)10-16/h3-13H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyAIFVGOIWKZVZNE-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

N-(3-methylphenyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109265491
N-(3-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109268715
2-(3-chloroanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268705
2-(5-chloro-2-methylanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268708
2-(2-chloroanilino)-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109267813
N-(3-chlorophenyl)-2-(2,6-dichloroanilino)pyrimidine-5-carboxamide
CID 109268750
2-(3-acetamidoanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268731
N-(3-chlorophenyl)-2-(2,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109266466
2-(3-chloro-2-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109267816
3-chloro-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017754
N-(3-acetylphenyl)-2-(3-chloroanilino)pyrimidine-5-carboxamide
CID 109268784
N-(3-chlorophenyl)-2-(3,4-dichloroanilino)pyrimidine-5-carboxamide
CID 109268746

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide (CID 109267863) is N-(3-chlorophenyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide is CC(C)c1ccccc1Nc1ncc(C(=O)Nc2cccc(Cl)c2)cn1.
What is the InChIKey of N-(3-chlorophenyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide?
The InChIKey is AIFVGOIWKZVZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-13(2)17-8-3-4-9-18(17)25-20-22-11-14(12-23-20)19(26)24-16-7-5-6-15(21)10-16/h3-13H,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of N-(3-chlorophenyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide?
N-(3-chlorophenyl)-2-(2-propan-2-ylanilino)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 N-(3-chlorophenyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109267863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).