N-cyclohexyl-2-(4-ethylanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide

C19H26N4O2 — CID 2969992

IUPACN-cyclohexyl-2-(4-ethylanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
SMILESCCc1ccc(NC2=NC(C(=O)NC3CCCCC3)CC(=O)N2)cc1
InChIInChI=1S/C19H26N4O2/c1-2-13-8-10-15(11-9-13)21-19-22-16(12-17(24)23-19)18(25)20-14-6-4-3-5-7-14/h8-11,14,16H,2-7,12H2,1H3,(H,20,25)(H2,21,22,23,24)
InChIKeyIUMPHTHJUKSOSE-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.35
Rot. Bonds4

About N-cyclohexyl-2-(4-ethylanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide

N-cyclohexyl-2-(4-ethylanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide (PubChem CID 2969992) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-ethylanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-ethylanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
PubChem CID2969992
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-cyclohexyl-2-(4-ethylanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
SMILESCCc1ccc(NC2=NC(C(=O)NC3CCCCC3)CC(=O)N2)cc1
InChIInChI=1S/C19H26N4O2/c1-2-13-8-10-15(11-9-13)21-19-22-16(12-17(24)23-19)18(25)20-14-6-4-3-5-7-14/h8-11,14,16H,2-7,12H2,1H3,(H,20,25)(H2,21,22,23,24)
InChIKeyIUMPHTHJUKSOSE-UHFFFAOYSA-N
XLogP2.35
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-ethylanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-2-(4-ethylanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide (CID 2969992) is N-cyclohexyl-2-(4-ethylanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(4-ethylanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(4-ethylanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide is CCc1ccc(NC2=NC(C(=O)NC3CCCCC3)CC(=O)N2)cc1.
What is the InChIKey of N-cyclohexyl-2-(4-ethylanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The InChIKey is IUMPHTHJUKSOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-2-13-8-10-15(11-9-13)21-19-22-16(12-17(24)23-19)18(25)20-14-6-4-3-5-7-14/h8-11,14,16H,2-7,12H2,1H3,(H,20,25)(H2,21,22,23,24).
What are the key properties of N-cyclohexyl-2-(4-ethylanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
N-cyclohexyl-2-(4-ethylanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-ethylanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 2969992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).