4-hydroxy-2-pentan-3-yl-1H-pyrimidin-6-one

C9H14N2O2 — CID 63612933

IUPAC4-hydroxy-2-pentan-3-yl-1H-pyrimidin-6-one
SMILESCCC(CC)c1nc(O)cc(=O)[nH]1
InChIInChI=1S/C9H14N2O2/c1-3-6(4-2)9-10-7(12)5-8(13)11-9/h5-6H,3-4H2,1-2H3,(H2,10,11,12,13)
InChIKeyKGIGCHKVEAFZIE-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.38
Rot. Bonds3

About 4-hydroxy-2-pentan-3-yl-1H-pyrimidin-6-one

4-hydroxy-2-pentan-3-yl-1H-pyrimidin-6-one (PubChem CID 63612933) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-hydroxy-2-pentan-3-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-pentan-3-yl-1H-pyrimidin-6-one
PubChem CID63612933
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name4-hydroxy-2-pentan-3-yl-1H-pyrimidin-6-one
SMILESCCC(CC)c1nc(O)cc(=O)[nH]1
InChIInChI=1S/C9H14N2O2/c1-3-6(4-2)9-10-7(12)5-8(13)11-9/h5-6H,3-4H2,1-2H3,(H2,10,11,12,13)
InChIKeyKGIGCHKVEAFZIE-UHFFFAOYSA-N
XLogP1.38
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-pentan-3-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-pentan-3-yl-1H-pyrimidin-6-one (CID 63612933) is 4-hydroxy-2-pentan-3-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-pentan-3-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-pentan-3-yl-1H-pyrimidin-6-one is CCC(CC)c1nc(O)cc(=O)[nH]1.
What is the InChIKey of 4-hydroxy-2-pentan-3-yl-1H-pyrimidin-6-one?
The InChIKey is KGIGCHKVEAFZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-6(4-2)9-10-7(12)5-8(13)11-9/h5-6H,3-4H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 4-hydroxy-2-pentan-3-yl-1H-pyrimidin-6-one?
4-hydroxy-2-pentan-3-yl-1H-pyrimidin-6-one has a molecular weight of 182.22 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-pentan-3-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 63612933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).