4-hydroxy-2-(4-methylpentyl)-1H-pyrimidin-6-one

C10H16N2O2 — CID 127044148

IUPAC4-hydroxy-2-(4-methylpentyl)-1H-pyrimidin-6-one
SMILESCC(C)CCCc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C10H16N2O2/c1-7(2)4-3-5-8-11-9(13)6-10(14)12-8/h6-7H,3-5H2,1-2H3,(H2,11,12,13,14)
InChIKeyOTIGUDGRAQTPGV-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.45
Rot. Bonds4

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

4-hydroxy-2-(4-methylpentyl)-1H-pyrimidin-6-one (PubChem CID 127044148) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-hydroxy-2-(4-methylpentyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(4-methylpentyl)-1H-pyrimidin-6-one
PubChem CID127044148
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4-hydroxy-2-(4-methylpentyl)-1H-pyrimidin-6-one
SMILESCC(C)CCCc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C10H16N2O2/c1-7(2)4-3-5-8-11-9(13)6-10(14)12-8/h6-7H,3-5H2,1-2H3,(H2,11,12,13,14)
InChIKeyOTIGUDGRAQTPGV-UHFFFAOYSA-N
XLogP1.45
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(4-methylpentyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(4-methylpentyl)-1H-pyrimidin-6-one (CID 127044148) is 4-hydroxy-2-(4-methylpentyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(4-methylpentyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(4-methylpentyl)-1H-pyrimidin-6-one is CC(C)CCCc1nc(O)cc(=O)[nH]1.
What is the InChIKey of 4-hydroxy-2-(4-methylpentyl)-1H-pyrimidin-6-one?
The InChIKey is OTIGUDGRAQTPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7(2)4-3-5-8-11-9(13)6-10(14)12-8/h6-7H,3-5H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 4-hydroxy-2-(4-methylpentyl)-1H-pyrimidin-6-one?
4-hydroxy-2-(4-methylpentyl)-1H-pyrimidin-6-one has a molecular weight of 196.25 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(4-methylpentyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 127044148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).