2-(4-ethylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide

C17H22N4O — CID 109248532

IUPAC2-(4-ethylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
SMILESCCc1ccc(Nc2ncc(C(=O)NCC(C)C)cn2)cc1
InChIInChI=1S/C17H22N4O/c1-4-13-5-7-15(8-6-13)21-17-19-10-14(11-20-17)16(22)18-9-12(2)3/h5-8,10-12H,4,9H2,1-3H3,(H,18,22)(H,19,20,21)
InChIKeyHVUFJKBFJNDSCR-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.17
Rot. Bonds6

About 2-(4-ethylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide

2-(4-ethylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide (PubChem CID 109248532) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(4-ethylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-ethylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
PubChem CID109248532
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-(4-ethylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
SMILESCCc1ccc(Nc2ncc(C(=O)NCC(C)C)cn2)cc1
InChIInChI=1S/C17H22N4O/c1-4-13-5-7-15(8-6-13)21-17-19-10-14(11-20-17)16(22)18-9-12(2)3/h5-8,10-12H,4,9H2,1-3H3,(H,18,22)(H,19,20,21)
InChIKeyHVUFJKBFJNDSCR-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-anilino-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248518
2-(4-ethylanilino)-N-pentylpyrimidine-5-carboxamide
CID 109263653
N-(2-methylpropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide
CID 109248589
2-(3-bromo-4-methylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248556
2-(4-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 109258580
2-(4-acetylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide
CID 109267464
2-(1,3-benzodioxol-5-ylamino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248596
N-(3,5-dimethylphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide
CID 109266838
N-cycloheptyl-2-(4-ethylanilino)pyrimidine-5-carboxamide
CID 109263102
2-(4-propan-2-ylanilino)-N-propylpyrimidine-5-carboxamide
CID 109246574
2-(4-ethylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265292
2-(4-ethylanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109267526

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-ethylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide (CID 109248532) is 2-(4-ethylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-ethylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-ethylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide is CCc1ccc(Nc2ncc(C(=O)NCC(C)C)cn2)cc1.
What is the InChIKey of 2-(4-ethylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide?
The InChIKey is HVUFJKBFJNDSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-4-13-5-7-15(8-6-13)21-17-19-10-14(11-20-17)16(22)18-9-12(2)3/h5-8,10-12H,4,9H2,1-3H3,(H,18,22)(H,19,20,21).
What are the key properties of 2-(4-ethylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide?
2-(4-ethylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109248532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).