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

C17H22N4O — CID 109296984

IUPAC2-(2,6-dimethylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
SMILESCc1cccc(C)c1Nc1nccc(C(=O)NCC(C)C)n1
InChIInChI=1S/C17H22N4O/c1-11(2)10-19-16(22)14-8-9-18-17(20-14)21-15-12(3)6-5-7-13(15)4/h5-9,11H,10H2,1-4H3,(H,19,22)(H,18,20,21)
InChIKeySOZIIWYURDXRQB-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.22
Rot. Bonds5

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

2-(2,6-dimethylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide (PubChem CID 109296984) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(2,6-dimethylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-dimethylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
PubChem CID109296984
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-(2,6-dimethylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
SMILESCc1cccc(C)c1Nc1nccc(C(=O)NCC(C)C)n1
InChIInChI=1S/C17H22N4O/c1-11(2)10-19-16(22)14-8-9-18-17(20-14)21-15-12(3)6-5-7-13(15)4/h5-9,11H,10H2,1-4H3,(H,19,22)(H,18,20,21)
InChIKeySOZIIWYURDXRQB-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

2-(2-methylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109296974
N-(2-methylpropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109297024
2-(2-methyl-6-propan-2-ylanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109301621
methyl 4-[[4-(2-methylpropylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109297032
ethyl 4-[[4-(2-methylpropylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109297055
ethyl 2-[[4-(2-methylpropylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109297071
N-(2-methylpropyl)-2-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109297037
N-(2-methylpropyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109296920
methyl 4-[[2-(2,6-dimethylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109315289
N-[2-(dimethylamino)ethyl]-2-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide
CID 109301317
N-[4-(diethylamino)phenyl]-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109315291
2-(2-ethyl-6-methylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300244

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2,6-dimethylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide (CID 109296984) is 2-(2,6-dimethylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,6-dimethylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,6-dimethylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide is Cc1cccc(C)c1Nc1nccc(C(=O)NCC(C)C)n1.
What is the InChIKey of 2-(2,6-dimethylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide?
The InChIKey is SOZIIWYURDXRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-11(2)10-19-16(22)14-8-9-18-17(20-14)21-15-12(3)6-5-7-13(15)4/h5-9,11H,10H2,1-4H3,(H,19,22)(H,18,20,21).
What are the key properties of 2-(2,6-dimethylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide?
2-(2,6-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 2-(2,6-dimethylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109296984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).