N-butan-2-yl-2-(2-ethylanilino)pyrimidine-5-carboxamide

C17H22N4O — CID 109248917

IUPACN-butan-2-yl-2-(2-ethylanilino)pyrimidine-5-carboxamide
SMILESCCc1ccccc1Nc1ncc(C(=O)NC(C)CC)cn1
InChIInChI=1S/C17H22N4O/c1-4-12(3)20-16(22)14-10-18-17(19-11-14)21-15-9-7-6-8-13(15)5-2/h6-12H,4-5H2,1-3H3,(H,20,22)(H,18,19,21)
InChIKeyVNBGCUYGKZWTNB-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.31
Rot. Bonds6

About N-butan-2-yl-2-(2-ethylanilino)pyrimidine-5-carboxamide

N-butan-2-yl-2-(2-ethylanilino)pyrimidine-5-carboxamide (PubChem CID 109248917) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-butan-2-yl-2-(2-ethylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(2-ethylanilino)pyrimidine-5-carboxamide
PubChem CID109248917
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-butan-2-yl-2-(2-ethylanilino)pyrimidine-5-carboxamide
SMILESCCc1ccccc1Nc1ncc(C(=O)NC(C)CC)cn1
InChIInChI=1S/C17H22N4O/c1-4-12(3)20-16(22)14-10-18-17(19-11-14)21-15-9-7-6-8-13(15)5-2/h6-12H,4-5H2,1-3H3,(H,20,22)(H,18,19,21)
InChIKeyVNBGCUYGKZWTNB-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-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109248845
N-butan-2-yl-2-(4-phenoxyanilino)pyrimidine-5-carboxamide
CID 109248974
2-(2-bromo-4-methylanilino)-N-butan-2-ylpyrimidine-5-carboxamide
CID 109248979
N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-5-carboxamide
CID 109267415
[2-(2-ethylanilino)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 109253729
N-(3-chloro-2-methylphenyl)-2-(2-ethylanilino)pyrimidine-5-carboxamide
CID 109267368
N-butan-2-yl-2-(2-methylpropylamino)pyrimidine-5-carboxamide
CID 109248625
N-[2-(4-chlorophenyl)ethyl]-2-(2-ethylanilino)pyrimidine-5-carboxamide
CID 109261399
ethyl 4-[[2-(2-ethylanilino)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate
CID 109261818
N-(2,6-diethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109268092
N-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide
CID 109267292
3,4-dihydro-1H-isoquinolin-2-yl-[2-(2-ethylanilino)pyrimidin-5-yl]methanone
CID 109259661

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(2-ethylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-butan-2-yl-2-(2-ethylanilino)pyrimidine-5-carboxamide (CID 109248917) is N-butan-2-yl-2-(2-ethylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-(2-ethylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-butan-2-yl-2-(2-ethylanilino)pyrimidine-5-carboxamide is CCc1ccccc1Nc1ncc(C(=O)NC(C)CC)cn1.
What is the InChIKey of N-butan-2-yl-2-(2-ethylanilino)pyrimidine-5-carboxamide?
The InChIKey is VNBGCUYGKZWTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-4-12(3)20-16(22)14-10-18-17(19-11-14)21-15-9-7-6-8-13(15)5-2/h6-12H,4-5H2,1-3H3,(H,20,22)(H,18,19,21).
What are the key properties of N-butan-2-yl-2-(2-ethylanilino)pyrimidine-5-carboxamide?
N-butan-2-yl-2-(2-ethylanilino)pyrimidine-5-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-(2-ethylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109248917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).