5-amino-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one

C9H14N4O2 — CID 136811790

IUPAC5-amino-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one
SMILESNc1c(N2CCC[C@H](O)C2)nc[nH]c1=O
InChIInChI=1S/C9H14N4O2/c10-7-8(11-5-12-9(7)15)13-3-1-2-6(14)4-13/h5-6,14H,1-4,10H2,(H,11,12,15)/t6-/m0/s1
InChIKeyTYXSQCNUVWMORJ-LURJTMIESA-N
MW210.24 g/mol
LogP-0.69
Rot. Bonds1

About 5-amino-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one

5-amino-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136811790) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 5-amino-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136811790
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name5-amino-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one
SMILESNc1c(N2CCC[C@H](O)C2)nc[nH]c1=O
InChIInChI=1S/C9H14N4O2/c10-7-8(11-5-12-9(7)15)13-3-1-2-6(14)4-13/h5-6,14H,1-4,10H2,(H,11,12,15)/t6-/m0/s1
InChIKeyTYXSQCNUVWMORJ-LURJTMIESA-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

4-[3-[(3S)-3-hydroxypiperidin-1-yl]propylamino]-1H-pyrimidin-6-one
CID 171359109
(6S)-6-[(2S)-1,2-dihydroxypropyl]-1,4,5,6,7,8-hexahydropteridin-4-one
CID 136948348
6-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 135462583
5-amino-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135568290
(6R)-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 135815443
4-Hydroxy-6-(3-hydroxypiperidin-1-yl)pyrimidine
CID 136276594
5-amino-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702376
5-amino-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702381
5-amino-4-(3-hydroxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749162
5-bromo-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one
CID 136811794
4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one
CID 136811796
4-[(3S)-3-hydroxypiperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136811797

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one (CID 136811790) is 5-amino-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one is Nc1c(N2CCC[C@H](O)C2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is TYXSQCNUVWMORJ-LURJTMIESA-N. The full InChI is InChI=1S/C9H14N4O2/c10-7-8(11-5-12-9(7)15)13-3-1-2-6(14)4-13/h5-6,14H,1-4,10H2,(H,11,12,15)/t6-/m0/s1.
What are the key properties of 5-amino-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one?
5-amino-4-[(3S)-3-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 5-amino-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136811790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).