2-(butan-2-ylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide

C17H22N4O2 — CID 109297209

IUPAC2-(butan-2-ylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccnc(NC(C)CC)n2)cc1
InChIInChI=1S/C17H22N4O2/c1-4-12(3)19-17-18-11-10-15(21-17)16(22)20-13-6-8-14(9-7-13)23-5-2/h6-12H,4-5H2,1-3H3,(H,20,22)(H,18,19,21)
InChIKeyVGOYLHLUSKVTFC-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.34
Rot. Bonds7

About 2-(butan-2-ylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide

2-(butan-2-ylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109297209) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
PubChem CID109297209
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-(butan-2-ylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccnc(NC(C)CC)n2)cc1
InChIInChI=1S/C17H22N4O2/c1-4-12(3)19-17-18-11-10-15(21-17)16(22)20-13-6-8-14(9-7-13)23-5-2/h6-12H,4-5H2,1-3H3,(H,20,22)(H,18,19,21)
InChIKeyVGOYLHLUSKVTFC-UHFFFAOYSA-N
XLogP3.34
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(butan-2-ylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109297207
2-(butan-2-ylamino)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide
CID 109249139
N-(4-acetylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109317859
2-(2,6-diethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109316253
2-(butan-2-ylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109297252
N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109306966
N-(3-chloro-4-methylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109317293
2-(butan-2-ylamino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109297217
2-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109314853
2-(butan-2-ylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109297087
N-(4-propan-2-yloxyphenyl)-2-(propylamino)pyrimidine-4-carboxamide
CID 109294858
methyl 3-[[4-[(4-ethoxyphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109317891

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(butan-2-ylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide (CID 109297209) is 2-(butan-2-ylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide is CCOc1ccc(NC(=O)c2ccnc(NC(C)CC)n2)cc1.
What is the InChIKey of 2-(butan-2-ylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is VGOYLHLUSKVTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-4-12(3)19-17-18-11-10-15(21-17)16(22)20-13-6-8-14(9-7-13)23-5-2/h6-12H,4-5H2,1-3H3,(H,20,22)(H,18,19,21).
What are the key properties of 2-(butan-2-ylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide?
2-(butan-2-ylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109297209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).