2-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-5-carboxamide

C16H19ClN4O — CID 109263001

IUPAC2-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-5-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cnc(NC(C)(C)C)nc1
InChIInChI=1S/C16H19ClN4O/c1-10-7-12(17)5-6-13(10)20-14(22)11-8-18-15(19-9-11)21-16(2,3)4/h5-9H,1-4H3,(H,20,22)(H,18,19,21)
InChIKeyGRAPFFCXACQFSD-UHFFFAOYSA-N
MW318.81 g/mol
LogP3.90
Rot. Bonds3

About 2-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-5-carboxamide

2-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-5-carboxamide (PubChem CID 109263001) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-5-carboxamide
PubChem CID109263001
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name2-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-5-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cnc(NC(C)(C)C)nc1
InChIInChI=1S/C16H19ClN4O/c1-10-7-12(17)5-6-13(10)20-14(22)11-8-18-15(19-9-11)21-16(2,3)4/h5-9H,1-4H3,(H,20,22)(H,18,19,21)
InChIKeyGRAPFFCXACQFSD-UHFFFAOYSA-N
XLogP3.90
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255747
N-(4-chloro-2-methylphenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide
CID 109265407
2-(tert-butylamino)-N-(4-chlorophenyl)pyrimidine-5-carboxamide
CID 109262998
5-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 109195211
N-(4-chloro-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 18148116
N-(4-chloro-2-methylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109268395
N-(4-chloro-2-methylphenyl)-2-(2,3-dimethylanilino)pyrimidine-5-carboxamide
CID 109267225
6-[(4-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427229
2-(3-chloro-4-fluoroanilino)-N-(4-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109269075
N-(4-chloro-2-methylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide
CID 109260157
2-(2,4-dichloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266433
N-(4-chloro-2-methylphenyl)-2-[4-(dimethylamino)anilino]pyrimidine-5-carboxamide
CID 109269094

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-5-carboxamide (CID 109263001) is 2-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-5-carboxamide is Cc1cc(Cl)ccc1NC(=O)c1cnc(NC(C)(C)C)nc1.
What is the InChIKey of 2-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-5-carboxamide?
The InChIKey is GRAPFFCXACQFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-10-7-12(17)5-6-13(10)20-14(22)11-8-18-15(19-9-11)21-16(2,3)4/h5-9H,1-4H3,(H,20,22)(H,18,19,21).
What are the key properties of 2-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-5-carboxamide?
2-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-5-carboxamide has a molecular weight of 318.81 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109263001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).