2-amino-4-(4-hydroxypiperidin-1-yl)-1H-pyrimidin-6-one

C9H14N4O2 — CID 136776209

IUPAC2-amino-4-(4-hydroxypiperidin-1-yl)-1H-pyrimidin-6-one
SMILESNc1nc(N2CCC(O)CC2)cc(=O)[nH]1
InChIInChI=1S/C9H14N4O2/c10-9-11-7(5-8(15)12-9)13-3-1-6(14)2-4-13/h5-6,14H,1-4H2,(H3,10,11,12,15)
InChIKeyDAOZHVLVEAVFRV-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.69
Rot. Bonds1

About 2-amino-4-(4-hydroxypiperidin-1-yl)-1H-pyrimidin-6-one

2-amino-4-(4-hydroxypiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136776209) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-amino-4-(4-hydroxypiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(4-hydroxypiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136776209
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name2-amino-4-(4-hydroxypiperidin-1-yl)-1H-pyrimidin-6-one
SMILESNc1nc(N2CCC(O)CC2)cc(=O)[nH]1
InChIInChI=1S/C9H14N4O2/c10-9-11-7(5-8(15)12-9)13-3-1-6(14)2-4-13/h5-6,14H,1-4H2,(H3,10,11,12,15)
InChIKeyDAOZHVLVEAVFRV-UHFFFAOYSA-N
XLogP-0.69
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-Hydroxypiperidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136957342
4-[3-[(3S)-3-hydroxypiperidin-1-yl]propylamino]-1H-pyrimidin-6-one
CID 171359109
6-Hydroxy-2-(1-piperidinyl)-4(3H)-pyrimidinone
CID 30033455
6-(4-hydroxypiperidin-1-yl)pyrimidine-2,4(1H,3H)-dione
CID 121205395
4-hydroxy-2-piperidin-1-yl-1H-pyrimidin-6-one;hydrate
CID 131865462
2-Amino-6-[3-(hydroxymethyl)piperidin-1-YL]pyrimidin-4(3H)-one
CID 136121124
4-Hydroxy-6-(3-hydroxypiperidin-1-yl)pyrimidine
CID 136276594
2-amino-6-piperidin-1-ylpyrimidin-4(3H)-one
CID 136302262
2-amino-4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136733832
2-amino-4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136733833
4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one
CID 136811796
4-(4-hydroxypiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136957340

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-hydroxypiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(4-hydroxypiperidin-1-yl)-1H-pyrimidin-6-one (CID 136776209) is 2-amino-4-(4-hydroxypiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(4-hydroxypiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(4-hydroxypiperidin-1-yl)-1H-pyrimidin-6-one is Nc1nc(N2CCC(O)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-amino-4-(4-hydroxypiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is DAOZHVLVEAVFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c10-9-11-7(5-8(15)12-9)13-3-1-6(14)2-4-13/h5-6,14H,1-4H2,(H3,10,11,12,15).
What are the key properties of 2-amino-4-(4-hydroxypiperidin-1-yl)-1H-pyrimidin-6-one?
2-amino-4-(4-hydroxypiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 210.24 g/mol, XLogP of -0.69, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-hydroxypiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136776209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).