N-butan-2-yl-2-(4-ethylanilino)pyrimidine-4-carboxamide

C17H22N4O — CID 109297372

IUPACN-butan-2-yl-2-(4-ethylanilino)pyrimidine-4-carboxamide
SMILESCCc1ccc(Nc2nccc(C(=O)NC(C)CC)n2)cc1
InChIInChI=1S/C17H22N4O/c1-4-12(3)19-16(22)15-10-11-18-17(21-15)20-14-8-6-13(5-2)7-9-14/h6-12H,4-5H2,1-3H3,(H,19,22)(H,18,20,21)
InChIKeyUWADMLPITLNJDQ-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.31
Rot. Bonds6

About N-butan-2-yl-2-(4-ethylanilino)pyrimidine-4-carboxamide

N-butan-2-yl-2-(4-ethylanilino)pyrimidine-4-carboxamide (PubChem CID 109297372) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-butan-2-yl-2-(4-ethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(4-ethylanilino)pyrimidine-4-carboxamide
PubChem CID109297372
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-butan-2-yl-2-(4-ethylanilino)pyrimidine-4-carboxamide
SMILESCCc1ccc(Nc2nccc(C(=O)NC(C)CC)n2)cc1
InChIInChI=1S/C17H22N4O/c1-4-12(3)19-16(22)15-10-11-18-17(21-15)20-14-8-6-13(5-2)7-9-14/h6-12H,4-5H2,1-3H3,(H,19,22)(H,18,20,21)
InChIKeyUWADMLPITLNJDQ-UHFFFAOYSA-N
XLogP3.31
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109297361
methyl 4-[[4-(butan-2-ylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109297417
2-(4-acetamidoanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109315753
N-butan-2-yl-2-(2,6-dichloroanilino)pyrimidine-4-carboxamide
CID 109297451
N-(4-acetylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide
CID 109315686
N-(2,6-difluorophenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide
CID 109315717
N-butan-2-yl-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109297311
2-(3,4-dimethylanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109314974
N-(3-chloro-2-methylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide
CID 109315663
N-propan-2-yl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109295454
2-(4-ethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109308320
N-butan-2-yl-2-(2,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109297406

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(4-ethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-2-(4-ethylanilino)pyrimidine-4-carboxamide (CID 109297372) is N-butan-2-yl-2-(4-ethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-(4-ethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-2-(4-ethylanilino)pyrimidine-4-carboxamide is CCc1ccc(Nc2nccc(C(=O)NC(C)CC)n2)cc1.
What is the InChIKey of N-butan-2-yl-2-(4-ethylanilino)pyrimidine-4-carboxamide?
The InChIKey is UWADMLPITLNJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-4-12(3)19-16(22)15-10-11-18-17(21-15)20-14-8-6-13(5-2)7-9-14/h6-12H,4-5H2,1-3H3,(H,19,22)(H,18,20,21).
What are the key properties of N-butan-2-yl-2-(4-ethylanilino)pyrimidine-4-carboxamide?
N-butan-2-yl-2-(4-ethylanilino)pyrimidine-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(4-ethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109297372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).