N-(3-chlorophenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide

C15H17ClN4O — CID 109340306

IUPACN-(3-chlorophenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
SMILESCC(C)CNc1cc(C(=O)Nc2cccc(Cl)c2)ncn1
InChIInChI=1S/C15H17ClN4O/c1-10(2)8-17-14-7-13(18-9-19-14)15(21)20-12-5-3-4-11(16)6-12/h3-7,9-10H,8H2,1-2H3,(H,20,21)(H,17,18,19)
InChIKeyRWVGVIBGLQAJLC-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.45
Rot. Bonds5

About N-(3-chlorophenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide

N-(3-chlorophenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide (PubChem CID 109340306) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
PubChem CID109340306
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC NameN-(3-chlorophenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
SMILESCC(C)CNc1cc(C(=O)Nc2cccc(Cl)c2)ncn1
InChIInChI=1S/C15H17ClN4O/c1-10(2)8-17-14-7-13(18-9-19-14)15(21)20-12-5-3-4-11(16)6-12/h3-7,9-10H,8H2,1-2H3,(H,20,21)(H,17,18,19)
InChIKeyRWVGVIBGLQAJLC-UHFFFAOYSA-N
XLogP3.45
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340332
N-(3-chloro-4-fluorophenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340312
N-(3-chlorophenyl)-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347330
6-[2-(3-chlorophenyl)ethylamino]-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109355427
6-(2-methylpropylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109340331
N-(2-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340281
N-(3-chlorophenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109351198
N-(3-chlorophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109358189
N-(3-chlorophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357928
N-(2,4-dimethylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340287
6-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109358177
N-benzyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340213

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide (CID 109340306) is N-(3-chlorophenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide is CC(C)CNc1cc(C(=O)Nc2cccc(Cl)c2)ncn1.
What is the InChIKey of N-(3-chlorophenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide?
The InChIKey is RWVGVIBGLQAJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-10(2)8-17-14-7-13(18-9-19-14)15(21)20-12-5-3-4-11(16)6-12/h3-7,9-10H,8H2,1-2H3,(H,20,21)(H,17,18,19).
What are the key properties of N-(3-chlorophenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide?
N-(3-chlorophenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109340306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).