N-(5-chloro-2-methylphenyl)-6-(3-methylbutylamino)pyrimidine-4-carboxamide

C17H21ClN4O — CID 109354221

IUPACN-(5-chloro-2-methylphenyl)-6-(3-methylbutylamino)pyrimidine-4-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cc(NCCC(C)C)ncn1
InChIInChI=1S/C17H21ClN4O/c1-11(2)6-7-19-16-9-15(20-10-21-16)17(23)22-14-8-13(18)5-4-12(14)3/h4-5,8-11H,6-7H2,1-3H3,(H,22,23)(H,19,20,21)
InChIKeyNVAGKBFQMXTZKA-UHFFFAOYSA-N
MW332.84 g/mol
LogP4.15
Rot. Bonds6

About N-(5-chloro-2-methylphenyl)-6-(3-methylbutylamino)pyrimidine-4-carboxamide

N-(5-chloro-2-methylphenyl)-6-(3-methylbutylamino)pyrimidine-4-carboxamide (PubChem CID 109354221) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-6-(3-methylbutylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-6-(3-methylbutylamino)pyrimidine-4-carboxamide
PubChem CID109354221
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC NameN-(5-chloro-2-methylphenyl)-6-(3-methylbutylamino)pyrimidine-4-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cc(NCCC(C)C)ncn1
InChIInChI=1S/C17H21ClN4O/c1-11(2)6-7-19-16-9-15(20-10-21-16)17(23)22-14-8-13(18)5-4-12(14)3/h4-5,8-11H,6-7H2,1-3H3,(H,22,23)(H,19,20,21)
InChIKeyNVAGKBFQMXTZKA-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)-6-(pentylamino)pyrimidine-4-carboxamide
CID 109354447
N-(5-chloro-2-methylphenyl)-6-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109344781
N-(2,6-dimethylphenyl)-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109354203
N-(5-chloro-2-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311775
N-(5-chloro-2-methylphenyl)-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109349631
N-(5-chloro-2-methylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344495
N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109354252
N-(2-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340281
6-(5-chloro-2-methylanilino)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109338945
N-(4-chloro-2-methylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125184
N-butan-2-yl-6-(5-chloro-2-methylanilino)pyrimidine-4-carboxamide
CID 109340874
methyl 4-[[6-(3-methylbutylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109354250

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-6-(3-methylbutylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-6-(3-methylbutylamino)pyrimidine-4-carboxamide (CID 109354221) is N-(5-chloro-2-methylphenyl)-6-(3-methylbutylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-6-(3-methylbutylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-6-(3-methylbutylamino)pyrimidine-4-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1cc(NCCC(C)C)ncn1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-6-(3-methylbutylamino)pyrimidine-4-carboxamide?
The InChIKey is NVAGKBFQMXTZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-11(2)6-7-19-16-9-15(20-10-21-16)17(23)22-14-8-13(18)5-4-12(14)3/h4-5,8-11H,6-7H2,1-3H3,(H,22,23)(H,19,20,21).
What are the key properties of N-(5-chloro-2-methylphenyl)-6-(3-methylbutylamino)pyrimidine-4-carboxamide?
N-(5-chloro-2-methylphenyl)-6-(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)-6-(3-methylbutylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109354221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).