5-piperidin-2-yl-1H-pyrimidin-6-one

C9H13N3O — CID 82409514

IUPAC5-piperidin-2-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]cncc1C1CCCCN1
InChIInChI=1S/C9H13N3O/c13-9-7(5-10-6-12-9)8-3-1-2-4-11-8/h5-6,8,11H,1-4H2,(H,10,12,13)
InChIKeyJACYEHBRBGOHOH-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.58
Rot. Bonds1

About 5-piperidin-2-yl-1H-pyrimidin-6-one

5-piperidin-2-yl-1H-pyrimidin-6-one (PubChem CID 82409514) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 5-piperidin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-piperidin-2-yl-1H-pyrimidin-6-one
PubChem CID82409514
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name5-piperidin-2-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]cncc1C1CCCCN1
InChIInChI=1S/C9H13N3O/c13-9-7(5-10-6-12-9)8-3-1-2-4-11-8/h5-6,8,11H,1-4H2,(H,10,12,13)
InChIKeyJACYEHBRBGOHOH-UHFFFAOYSA-N
XLogP0.58
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-pentyl-1H-pyrimidin-6-one
CID 67435856
4-hydroxy-5-piperidin-2-yl-1H-pyrimidin-6-one
CID 82400440
2-methyl-5-piperidin-2-yl-1H-pyrimidin-6-one
CID 82401864
4-methyl-5-piperidin-2-yl-1H-pyrimidin-6-one
CID 136310374

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-piperidin-2-yl-1H-pyrimidin-6-one (CID 82409514) is 5-piperidin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-piperidin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-piperidin-2-yl-1H-pyrimidin-6-one is O=c1[nH]cncc1C1CCCCN1.
What is the InChIKey of 5-piperidin-2-yl-1H-pyrimidin-6-one?
The InChIKey is JACYEHBRBGOHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c13-9-7(5-10-6-12-9)8-3-1-2-4-11-8/h5-6,8,11H,1-4H2,(H,10,12,13).
What are the key properties of 5-piperidin-2-yl-1H-pyrimidin-6-one?
5-piperidin-2-yl-1H-pyrimidin-6-one has a molecular weight of 179.22 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 82409514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).