4-hydroxy-2-(3-methylbutyl)-1H-pyrimidin-6-one

C9H14N2O2 — CID 55216240

IUPAC4-hydroxy-2-(3-methylbutyl)-1H-pyrimidin-6-one
SMILESCC(C)CCc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C9H14N2O2/c1-6(2)3-4-7-10-8(12)5-9(13)11-7/h5-6H,3-4H2,1-2H3,(H2,10,11,12,13)
InChIKeyGRPPQBNSUQMHIU-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.06
Rot. Bonds3

About 4-hydroxy-2-(3-methylbutyl)-1H-pyrimidin-6-one

4-hydroxy-2-(3-methylbutyl)-1H-pyrimidin-6-one (PubChem CID 55216240) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-hydroxy-2-(3-methylbutyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(3-methylbutyl)-1H-pyrimidin-6-one
PubChem CID55216240
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name4-hydroxy-2-(3-methylbutyl)-1H-pyrimidin-6-one
SMILESCC(C)CCc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C9H14N2O2/c1-6(2)3-4-7-10-8(12)5-9(13)11-7/h5-6H,3-4H2,1-2H3,(H2,10,11,12,13)
InChIKeyGRPPQBNSUQMHIU-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(3-methylbutyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(3-methylbutyl)-1H-pyrimidin-6-one (CID 55216240) is 4-hydroxy-2-(3-methylbutyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(3-methylbutyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(3-methylbutyl)-1H-pyrimidin-6-one is CC(C)CCc1nc(O)cc(=O)[nH]1.
What is the InChIKey of 4-hydroxy-2-(3-methylbutyl)-1H-pyrimidin-6-one?
The InChIKey is GRPPQBNSUQMHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6(2)3-4-7-10-8(12)5-9(13)11-7/h5-6H,3-4H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 4-hydroxy-2-(3-methylbutyl)-1H-pyrimidin-6-one?
4-hydroxy-2-(3-methylbutyl)-1H-pyrimidin-6-one has a molecular weight of 182.22 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(3-methylbutyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 55216240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).