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

C10H16N2O3 — CID 116745099

IUPAC4-hydroxy-2-(3-methoxypentan-3-yl)-1H-pyrimidin-6-one
SMILESCCC(CC)(OC)c1nc(O)cc(=O)[nH]1
InChIInChI=1S/C10H16N2O3/c1-4-10(5-2,15-3)9-11-7(13)6-8(14)12-9/h6H,4-5H2,1-3H3,(H2,11,12,13,14)
InChIKeyDZLPSYJPYLYYNY-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.14
Rot. Bonds4

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

4-hydroxy-2-(3-methoxypentan-3-yl)-1H-pyrimidin-6-one (PubChem CID 116745099) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-hydroxy-2-(3-methoxypentan-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(3-methoxypentan-3-yl)-1H-pyrimidin-6-one
PubChem CID116745099
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name4-hydroxy-2-(3-methoxypentan-3-yl)-1H-pyrimidin-6-one
SMILESCCC(CC)(OC)c1nc(O)cc(=O)[nH]1
InChIInChI=1S/C10H16N2O3/c1-4-10(5-2,15-3)9-11-7(13)6-8(14)12-9/h6H,4-5H2,1-3H3,(H2,11,12,13,14)
InChIKeyDZLPSYJPYLYYNY-UHFFFAOYSA-N
XLogP1.14
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(3-methoxypentan-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(3-methoxypentan-3-yl)-1H-pyrimidin-6-one (CID 116745099) is 4-hydroxy-2-(3-methoxypentan-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(3-methoxypentan-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(3-methoxypentan-3-yl)-1H-pyrimidin-6-one is CCC(CC)(OC)c1nc(O)cc(=O)[nH]1.
What is the InChIKey of 4-hydroxy-2-(3-methoxypentan-3-yl)-1H-pyrimidin-6-one?
The InChIKey is DZLPSYJPYLYYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-4-10(5-2,15-3)9-11-7(13)6-8(14)12-9/h6H,4-5H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 4-hydroxy-2-(3-methoxypentan-3-yl)-1H-pyrimidin-6-one?
4-hydroxy-2-(3-methoxypentan-3-yl)-1H-pyrimidin-6-one has a molecular weight of 212.25 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(3-methoxypentan-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 116745099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).