N-(5-chloro-2-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide

C17H21ClN4O — CID 109311775

IUPACN-(5-chloro-2-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccnc(NCCC(C)C)n1
InChIInChI=1S/C17H21ClN4O/c1-11(2)6-8-19-17-20-9-7-14(22-17)16(23)21-15-10-13(18)5-4-12(15)3/h4-5,7,9-11H,6,8H2,1-3H3,(H,21,23)(H,19,20,22)
InChIKeyULXIGEYCARIEAS-UHFFFAOYSA-N
MW332.84 g/mol
LogP4.15
Rot. Bonds6

About N-(5-chloro-2-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide

N-(5-chloro-2-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide (PubChem CID 109311775) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
PubChem CID109311775
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccnc(NCCC(C)C)n1
InChIInChI=1S/C17H21ClN4O/c1-11(2)6-8-19-17-20-9-7-14(22-17)16(23)21-15-10-13(18)5-4-12(15)3/h4-5,7,9-11H,6,8H2,1-3H3,(H,21,23)(H,19,20,22)
InChIKeyULXIGEYCARIEAS-UHFFFAOYSA-N
XLogP4.15
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299710
N-(2,4-dimethylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311752
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311831
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311840
N-[4-(diethylamino)-2-methylphenyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311841
N-[(4-chlorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109306057
N-(5-chloro-2-methylphenyl)-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109354221
N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 47255494
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311806
N-[2-(3-chlorophenyl)ethyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311741
N-(5-chloro-2-methylphenyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109306192
2-(3-methylbutylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109311825

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide (CID 109311775) is N-(5-chloro-2-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1ccnc(NCCC(C)C)n1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide?
The InChIKey is ULXIGEYCARIEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-11(2)6-8-19-17-20-9-7-14(22-17)16(23)21-15-10-13(18)5-4-12(15)3/h4-5,7,9-11H,6,8H2,1-3H3,(H,21,23)(H,19,20,22).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide?
N-(5-chloro-2-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide has a molecular weight of 332.84 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109311775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).