6-(3,5-dimethylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide

C17H22N4O — CID 109340475

IUPAC6-(3,5-dimethylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
SMILESCc1cc(C)cc(Nc2cc(C(=O)NCC(C)C)ncn2)c1
InChIInChI=1S/C17H22N4O/c1-11(2)9-18-17(22)15-8-16(20-10-19-15)21-14-6-12(3)5-13(4)7-14/h5-8,10-11H,9H2,1-4H3,(H,18,22)(H,19,20,21)
InChIKeyZKTPPTGASHCPPW-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.22
Rot. Bonds5

About 6-(3,5-dimethylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide

6-(3,5-dimethylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide (PubChem CID 109340475) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 6-(3,5-dimethylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3,5-dimethylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
PubChem CID109340475
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name6-(3,5-dimethylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
SMILESCc1cc(C)cc(Nc2cc(C(=O)NCC(C)C)ncn2)c1
InChIInChI=1S/C17H22N4O/c1-11(2)9-18-17(22)15-8-16(20-10-19-15)21-14-6-12(3)5-13(4)7-14/h5-8,10-11H,9H2,1-4H3,(H,18,22)(H,19,20,21)
InChIKeyZKTPPTGASHCPPW-UHFFFAOYSA-N
XLogP3.22
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylamino)propyl]-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109344929
6-(tert-butylamino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340453
6-(3,5-dimethylanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109353413
6-(2-ethyl-6-methylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340481
6-(2-methyl-6-propan-2-ylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340486
N-cyclopropyl-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109339315
6-(3,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355806
6-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109350041
6-(4-bromoanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109354342
6-(2,5-dimethoxyanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340512
[6-(3,5-dimethylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109343605
6-(4-methylanilino)-N-propylpyrimidine-4-carboxamide
CID 109338528

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3,5-dimethylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide (CID 109340475) is 6-(3,5-dimethylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3,5-dimethylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3,5-dimethylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide is Cc1cc(C)cc(Nc2cc(C(=O)NCC(C)C)ncn2)c1.
What is the InChIKey of 6-(3,5-dimethylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide?
The InChIKey is ZKTPPTGASHCPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-11(2)9-18-17(22)15-8-16(20-10-19-15)21-14-6-12(3)5-13(4)7-14/h5-8,10-11H,9H2,1-4H3,(H,18,22)(H,19,20,21).
What are the key properties of 6-(3,5-dimethylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide?
6-(3,5-dimethylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109340475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).