N-tert-butyl-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide

C17H22N4O — CID 109311332

IUPACN-tert-butyl-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide
SMILESCc1cccc(Nc2nccc(C(=O)NC(C)(C)C)n2)c1C
InChIInChI=1S/C17H22N4O/c1-11-7-6-8-13(12(11)2)19-16-18-10-9-14(20-16)15(22)21-17(3,4)5/h6-10H,1-5H3,(H,21,22)(H,18,19,20)
InChIKeyRXGCRJNMBCANSJ-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.37
Rot. Bonds3

About N-tert-butyl-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide

N-tert-butyl-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide (PubChem CID 109311332) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-tert-butyl-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide
PubChem CID109311332
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-tert-butyl-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide
SMILESCc1cccc(Nc2nccc(C(=O)NC(C)(C)C)n2)c1C
InChIInChI=1S/C17H22N4O/c1-11-7-6-8-13(12(11)2)19-16-18-10-9-14(20-16)15(22)21-17(3,4)5/h6-10H,1-5H3,(H,21,22)(H,18,19,20)
InChIKeyRXGCRJNMBCANSJ-UHFFFAOYSA-N
XLogP3.37
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313512
2-(2,3-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109307651
N-(3,4-difluorophenyl)-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide
CID 109315452
N-tert-butyl-2-(2,6-diethylanilino)pyrimidine-4-carboxamide
CID 109311340
N-(3,4-dimethoxyphenyl)-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide
CID 109315415
2-N-tert-butyl-4-N-(2,3-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109089263
2-(4-bromoanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315471
N-(2,3-dimethylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303964
N-benzyl-2-(2,3-dimethylanilino)-N-methylpyrimidine-4-carboxamide
CID 109305166
N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109315477
2-(2-methylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109296974
2-(2,5-dimethoxyanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315480

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-tert-butyl-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide (CID 109311332) is N-tert-butyl-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide is Cc1cccc(Nc2nccc(C(=O)NC(C)(C)C)n2)c1C.
What is the InChIKey of N-tert-butyl-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide?
The InChIKey is RXGCRJNMBCANSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-11-7-6-8-13(12(11)2)19-16-18-10-9-14(20-16)15(22)21-17(3,4)5/h6-10H,1-5H3,(H,21,22)(H,18,19,20).
What are the key properties of N-tert-butyl-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide?
N-tert-butyl-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109311332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).