N-(4-chloro-2-methylphenyl)-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide

C17H21ClN4O — CID 109362045

IUPACN-(4-chloro-2-methylphenyl)-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
SMILESCc1nc(NCC(C)C)cc(C(=O)Nc2ccc(Cl)cc2C)n1
InChIInChI=1S/C17H21ClN4O/c1-10(2)9-19-16-8-15(20-12(4)21-16)17(23)22-14-6-5-13(18)7-11(14)3/h5-8,10H,9H2,1-4H3,(H,22,23)(H,19,20,21)
InChIKeyYMXHPEPEIFESFN-UHFFFAOYSA-N
MW332.84 g/mol
LogP4.07
Rot. Bonds5

About N-(4-chloro-2-methylphenyl)-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide

N-(4-chloro-2-methylphenyl)-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide (PubChem CID 109362045) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
PubChem CID109362045
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC NameN-(4-chloro-2-methylphenyl)-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
SMILESCc1nc(NCC(C)C)cc(C(=O)Nc2ccc(Cl)cc2C)n1
InChIInChI=1S/C17H21ClN4O/c1-10(2)9-19-16-8-15(20-12(4)21-16)17(23)22-14-6-5-13(18)7-11(14)3/h5-8,10H,9H2,1-4H3,(H,22,23)(H,19,20,21)
InChIKeyYMXHPEPEIFESFN-UHFFFAOYSA-N
XLogP4.07
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-methylphenyl)-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109362090
6-(tert-butylamino)-N-(4-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109373700
N-(4-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109273038
N-(4-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181316
N-(4-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110859165
2-methyl-N-(4-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109362017
N-[2-(3-chlorophenyl)ethyl]-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109362010
N-(2,4-dimethylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340287
6-(benzylamino)-N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109368304
6-(4-chloro-2-methylanilino)-2-methyl-N-propylpyrimidine-4-carboxamide
CID 109360296
N-(5-chloro-2-methylphenyl)-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109368564
N-(4-chloro-2-methylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125184

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide (CID 109362045) is N-(4-chloro-2-methylphenyl)-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide is Cc1nc(NCC(C)C)cc(C(=O)Nc2ccc(Cl)cc2C)n1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide?
The InChIKey is YMXHPEPEIFESFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-10(2)9-19-16-8-15(20-12(4)21-16)17(23)22-14-6-5-13(18)7-11(14)3/h5-8,10H,9H2,1-4H3,(H,22,23)(H,19,20,21).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide?
N-(4-chloro-2-methylphenyl)-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide has a molecular weight of 332.84 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109362045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).