4-hydroxy-2-piperidin-1-yl-1H-pyrimidin-6-one;hydrate

C9H15N3O3 — CID 131865462

IUPAC4-hydroxy-2-piperidin-1-yl-1H-pyrimidin-6-one;hydrate
SMILESO.O=c1cc(O)nc(N2CCCCC2)[nH]1
InChIInChI=1S/C9H13N3O2.H2O/c13-7-6-8(14)11-9(10-7)12-4-2-1-3-5-12;/h6H,1-5H2,(H2,10,11,13,14);1H2
InChIKeyKPXTUCNZDWWJKT-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.36
Rot. Bonds1

About 4-hydroxy-2-piperidin-1-yl-1H-pyrimidin-6-one;hydrate

4-hydroxy-2-piperidin-1-yl-1H-pyrimidin-6-one;hydrate (PubChem CID 131865462) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 4-hydroxy-2-piperidin-1-yl-1H-pyrimidin-6-one;hydrate.

Molecular Properties

Compound Name4-hydroxy-2-piperidin-1-yl-1H-pyrimidin-6-one;hydrate
PubChem CID131865462
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name4-hydroxy-2-piperidin-1-yl-1H-pyrimidin-6-one;hydrate
SMILESO.O=c1cc(O)nc(N2CCCCC2)[nH]1
InChIInChI=1S/C9H13N3O2.H2O/c13-7-6-8(14)11-9(10-7)12-4-2-1-3-5-12;/h6H,1-5H2,(H2,10,11,13,14);1H2
InChIKeyKPXTUCNZDWWJKT-UHFFFAOYSA-N
XLogP-0.36
TPSA100.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-Piperidinyl)-4(3H)-pyrimidinone
CID 1404202
6-Methyl-2-(piperidin-1-yl)pyrimidin-4-ol
CID 135406154
6-(Piperidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136957380
2-Diethylamino-4,6-dihydroxy-pyrimidine
CID 21415038
4-hydroxy-2-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one
CID 22618178
6-Hydroxy-2-(1-piperidinyl)-4(3H)-pyrimidinone
CID 30033455
4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 30033457
4-hydroxy-2-piperazin-1-yl-1H-pyrimidin-6-one
CID 63556061
4-hydroxy-5-methyl-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 63613104
4-hydroxy-2-[4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 70560024
6-amino-2-piperidin-1-ylpyrimidin-4(3H)-one
CID 135587490
2-(cyclohexylamino)-4-hydroxy-1H-pyrimidin-6-one
CID 139976524

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-piperidin-1-yl-1H-pyrimidin-6-one;hydrate?
The IUPAC name of 4-hydroxy-2-piperidin-1-yl-1H-pyrimidin-6-one;hydrate (CID 131865462) is 4-hydroxy-2-piperidin-1-yl-1H-pyrimidin-6-one;hydrate.
What is the SMILES notation for 4-hydroxy-2-piperidin-1-yl-1H-pyrimidin-6-one;hydrate?
The canonical SMILES for 4-hydroxy-2-piperidin-1-yl-1H-pyrimidin-6-one;hydrate is O.O=c1cc(O)nc(N2CCCCC2)[nH]1.
What is the InChIKey of 4-hydroxy-2-piperidin-1-yl-1H-pyrimidin-6-one;hydrate?
The InChIKey is KPXTUCNZDWWJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2.H2O/c13-7-6-8(14)11-9(10-7)12-4-2-1-3-5-12;/h6H,1-5H2,(H2,10,11,13,14);1H2.
What are the key properties of 4-hydroxy-2-piperidin-1-yl-1H-pyrimidin-6-one;hydrate?
4-hydroxy-2-piperidin-1-yl-1H-pyrimidin-6-one;hydrate has a molecular weight of 213.24 g/mol, XLogP of -0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-piperidin-1-yl-1H-pyrimidin-6-one;hydrate is sourced from PubChem (CID 131865462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).