6-(tert-butylamino)-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide

C17H22N4O — CID 109373670

IUPAC6-(tert-butylamino)-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1nc(NC(C)(C)C)cc(C(=O)Nc2ccccc2C)n1
InChIInChI=1S/C17H22N4O/c1-11-8-6-7-9-13(11)20-16(22)14-10-15(19-12(2)18-14)21-17(3,4)5/h6-10H,1-5H3,(H,20,22)(H,18,19,21)
InChIKeyUWKWEIRIYGPFLX-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.56
Rot. Bonds3

About 6-(tert-butylamino)-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide

6-(tert-butylamino)-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109373670) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 6-(tert-butylamino)-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(tert-butylamino)-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109373670
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name6-(tert-butylamino)-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1nc(NC(C)(C)C)cc(C(=O)Nc2ccccc2C)n1
InChIInChI=1S/C17H22N4O/c1-11-8-6-7-9-13(11)20-16(22)14-10-15(19-12(2)18-14)21-17(3,4)5/h6-10H,1-5H3,(H,20,22)(H,18,19,21)
InChIKeyUWKWEIRIYGPFLX-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(tert-butylamino)-N-(4-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109373700
methyl 2-[[6-(tert-butylamino)-2-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109373726
N-(2-chlorophenyl)-2-methyl-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 112848065
6-(furan-2-ylmethylamino)-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109367982
6-(tert-butylamino)-2-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109373720
methyl 2-[[2-methyl-6-(2-methylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 112848094
6-(benzylamino)-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109368287
ethyl 4-[[2-methyl-6-[(2-methylphenyl)carbamoyl]pyrimidin-4-yl]amino]benzoate
CID 112848178
6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 112848176
4,6-dimethyl-N-(2-methylphenyl)pyridine-2-carboxamide
CID 19224338
6-(tert-butylamino)-2-methyl-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109373734
6-(tert-butylamino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369670

Frequently Asked Questions

What is the IUPAC name of 6-(tert-butylamino)-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(tert-butylamino)-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide (CID 109373670) is 6-(tert-butylamino)-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(tert-butylamino)-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(tert-butylamino)-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide is Cc1nc(NC(C)(C)C)cc(C(=O)Nc2ccccc2C)n1.
What is the InChIKey of 6-(tert-butylamino)-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is UWKWEIRIYGPFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-11-8-6-7-9-13(11)20-16(22)14-10-15(19-12(2)18-14)21-17(3,4)5/h6-10H,1-5H3,(H,20,22)(H,18,19,21).
What are the key properties of 6-(tert-butylamino)-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide?
6-(tert-butylamino)-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(tert-butylamino)-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109373670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).