ethane;2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one

C12H21N3O — CID 91221143

IUPACethane;2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one
SMILESCC.O=c1ccnc(CC2CCNCC2)[nH]1
InChIInChI=1S/C10H15N3O.C2H6/c14-10-3-6-12-9(13-10)7-8-1-4-11-5-2-8;1-2/h3,6,8,11H,1-2,4-5,7H2,(H,12,13,14);1-2H3
InChIKeySCCVTGRRFSXPIH-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.34
Rot. Bonds2

About ethane;2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one

ethane;2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 91221143) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is ethane;2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Nameethane;2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one
PubChem CID91221143
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Nameethane;2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one
SMILESCC.O=c1ccnc(CC2CCNCC2)[nH]1
InChIInChI=1S/C10H15N3O.C2H6/c14-10-3-6-12-9(13-10)7-8-1-4-11-5-2-8;1-2/h3,6,8,11H,1-2,4-5,7H2,(H,12,13,14);1-2H3
InChIKeySCCVTGRRFSXPIH-UHFFFAOYSA-N
XLogP1.34
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethane;2-(piperidin-4-ylmethyl)-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-Cyclobutylpyrimidin-4-ol
CID 45787579
2-Piperidin-4-yl-1H-pyrimidin-6-one;dihydrochloride
CID 137971720
2-Cyclohexylpyrimidin-4(3H)-one
CID 13619896
2-propan-2-yl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009792
2-ethyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009795
4H-Pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro, 8-methyl
CID 529098
2-Butylpyrimidin-4-ol
CID 10511035
2-[(1-phosphanylpiperidin-4-yl)methyl]-1H-pyrimidin-6-one
CID 18726933
2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one
CID 18726934
2-(2-Methylpropyl)pyrimidin-4-ol
CID 20081655
2-(1-ethylpiperidin-4-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 22618160
2-(5,6-dimethylpiperidin-2-yl)-1H-pyrimidin-6-one
CID 57306466

Frequently Asked Questions

What is the IUPAC name of ethane;2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of ethane;2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one (CID 91221143) is ethane;2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for ethane;2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for ethane;2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one is CC.O=c1ccnc(CC2CCNCC2)[nH]1.
What is the InChIKey of ethane;2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is SCCVTGRRFSXPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O.C2H6/c14-10-3-6-12-9(13-10)7-8-1-4-11-5-2-8;1-2/h3,6,8,11H,1-2,4-5,7H2,(H,12,13,14);1-2H3.
What are the key properties of ethane;2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one?
ethane;2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 223.32 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 91221143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).