2-ethyl-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one

C13H22N4O — CID 137016311

IUPAC2-ethyl-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one
SMILESCCc1nc(NCCN2CCCCC2)cc(=O)[nH]1
InChIInChI=1S/C13H22N4O/c1-2-11-15-12(10-13(18)16-11)14-6-9-17-7-4-3-5-8-17/h10H,2-9H2,1H3,(H2,14,15,16,18)
InChIKeyXUPIUVADGKLTAT-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.23
Rot. Bonds5

About 2-ethyl-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one

2-ethyl-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one (PubChem CID 137016311) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-ethyl-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one
PubChem CID137016311
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-ethyl-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one
SMILESCCc1nc(NCCN2CCCCC2)cc(=O)[nH]1
InChIInChI=1S/C13H22N4O/c1-2-11-15-12(10-13(18)16-11)14-6-9-17-7-4-3-5-8-17/h10H,2-9H2,1H3,(H2,14,15,16,18)
InChIKeyXUPIUVADGKLTAT-UHFFFAOYSA-N
XLogP1.23
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methyl-6-(piperidinomethyl)-4-pyrimidinol
CID 135472863
2-Isopropyl-6-(piperidinomethyl)-4-pyrimidinol
CID 135472879
2-(1-piperazin-1-ylbutyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136171498
2-amino-6-[4-(5-fluoropentyl)piperazin-1-yl]pyrimidin-4(3H)-one
CID 136663750
4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136728227
2-propan-2-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 137009570
2-ethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 137009573
2,3-Dimethyl-6-piperidin-1-ylpyrimidin-4-one
CID 67744616
4-Hydroxy-2-methyl-6-(piperidin-1-yl)pyrimidine
CID 137000217
2-(methylamino)-N-(4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)acetamide
CID 164573864
[(2E)-2-[3-amino-1-(methylamino)-3-oxoprop-1-enyl]imino-2-piperidin-1-ylethylidene]tungsten
CID 172189411
N-(4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)acetamide
CID 175761646

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one (CID 137016311) is 2-ethyl-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one is CCc1nc(NCCN2CCCCC2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one?
The InChIKey is XUPIUVADGKLTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-11-15-12(10-13(18)16-11)14-6-9-17-7-4-3-5-8-17/h10H,2-9H2,1H3,(H2,14,15,16,18).
What are the key properties of 2-ethyl-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one?
2-ethyl-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one has a molecular weight of 250.35 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 137016311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).