4-hydroxy-5-methyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one

C11H17N3O2 — CID 105480521

IUPAC4-hydroxy-5-methyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCc1c(O)nc(CC2CCCCN2)[nH]c1=O
InChIInChI=1S/C11H17N3O2/c1-7-10(15)13-9(14-11(7)16)6-8-4-2-3-5-12-8/h8,12H,2-6H2,1H3,(H2,13,14,15,16)
InChIKeyAWKMFUDJTQNRQH-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.47
Rot. Bonds2

About 4-hydroxy-5-methyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one

4-hydroxy-5-methyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 105480521) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one
PubChem CID105480521
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-hydroxy-5-methyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCc1c(O)nc(CC2CCCCN2)[nH]c1=O
InChIInChI=1S/C11H17N3O2/c1-7-10(15)13-9(14-11(7)16)6-8-4-2-3-5-12-8/h8,12H,2-6H2,1H3,(H2,13,14,15,16)
InChIKeyAWKMFUDJTQNRQH-UHFFFAOYSA-N
XLogP0.47
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-5-methyl-2-(piperidin-2-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

5-fluoro-4-hydroxy-2-piperidin-2-yl-1H-pyrimidin-6-one
CID 80550853
2-hydroxy-N-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide
CID 149515461
N-ethyl-2-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide
CID 153548836
2-hydroxy-4-oxo-N-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide
CID 153548840
2-(1-ethyl-6-methylpiperidin-3-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 170102342
2-Methyl-5-(piperidylmethyl)pyrimidine-4,6-diol
CID 3489834
5-ethyl-4-hydroxy-2-piperidin-2-yl-1H-pyrimidin-6-one
CID 63553911
4-hydroxy-2-piperidin-2-yl-5-propyl-1H-pyrimidin-6-one
CID 63553912
4-hydroxy-2-piperidin-2-yl-5-propan-2-yl-1H-pyrimidin-6-one
CID 63554096
4-hydroxy-5-methyl-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one
CID 63554115
4-hydroxy-5-methyl-2-piperidin-2-yl-1H-pyrimidin-6-one
CID 63554279
5-ethyl-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one
CID 63554456

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-methyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one (CID 105480521) is 4-hydroxy-5-methyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-methyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-methyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one is Cc1c(O)nc(CC2CCCCN2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-methyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is AWKMFUDJTQNRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7-10(15)13-9(14-11(7)16)6-8-4-2-3-5-12-8/h8,12H,2-6H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-hydroxy-5-methyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one?
4-hydroxy-5-methyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.47, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 105480521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).