6-(tert-butylamino)-N-(4-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide

C17H21ClN4O — CID 109373700

IUPAC6-(tert-butylamino)-N-(4-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(NC(C)(C)C)cc(C(=O)Nc2ccc(Cl)cc2C)n1
InChIInChI=1S/C17H21ClN4O/c1-10-8-12(18)6-7-13(10)21-16(23)14-9-15(20-11(2)19-14)22-17(3,4)5/h6-9H,1-5H3,(H,21,23)(H,19,20,22)
InChIKeyJRQSIEJJAPKVNF-UHFFFAOYSA-N
MW332.84 g/mol
LogP4.21
Rot. Bonds3

About 6-(tert-butylamino)-N-(4-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide

6-(tert-butylamino)-N-(4-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 109373700) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is 6-(tert-butylamino)-N-(4-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(tert-butylamino)-N-(4-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID109373700
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC Name6-(tert-butylamino)-N-(4-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(NC(C)(C)C)cc(C(=O)Nc2ccc(Cl)cc2C)n1
InChIInChI=1S/C17H21ClN4O/c1-10-8-12(18)6-7-13(10)21-16(23)14-9-15(20-11(2)19-14)22-17(3,4)5/h6-9H,1-5H3,(H,21,23)(H,19,20,22)
InChIKeyJRQSIEJJAPKVNF-UHFFFAOYSA-N
XLogP4.21
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(tert-butylamino)-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109373670
N-(4-chloro-2-methylphenyl)-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109362045
N-(4-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110859165
5-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 109195211
methyl 2-[[6-(tert-butylamino)-2-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109373726
6-(4-chloro-2-methylanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850278
6-(4-chloro-2-methylanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850264
2-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109263001
6-(tert-butylamino)-2-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109373720
N-(4-chlorophenyl)-6-(2,4-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848839
6-(4-chloro-2-methylanilino)-N-(3-cyanophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850277
6-(5-chloro-2-methoxyanilino)-N-(2,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112848881

Frequently Asked Questions

What is the IUPAC name of 6-(tert-butylamino)-N-(4-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(tert-butylamino)-N-(4-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide (CID 109373700) is 6-(tert-butylamino)-N-(4-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(tert-butylamino)-N-(4-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(tert-butylamino)-N-(4-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide is Cc1nc(NC(C)(C)C)cc(C(=O)Nc2ccc(Cl)cc2C)n1.
What is the InChIKey of 6-(tert-butylamino)-N-(4-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is JRQSIEJJAPKVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-10-8-12(18)6-7-13(10)21-16(23)14-9-15(20-11(2)19-14)22-17(3,4)5/h6-9H,1-5H3,(H,21,23)(H,19,20,22).
What are the key properties of 6-(tert-butylamino)-N-(4-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide?
6-(tert-butylamino)-N-(4-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 332.84 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(tert-butylamino)-N-(4-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109373700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).