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

C7H10N2O3 — CID 105434391

IUPAC4-hydroxy-2-(3-hydroxypropyl)-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(CCCO)[nH]1
InChIInChI=1S/C7H10N2O3/c10-3-1-2-5-8-6(11)4-7(12)9-5/h4,10H,1-3H2,(H2,8,9,11,12)
InChIKeyFFZNGGDXUMVGEY-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.60
Rot. Bonds3

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

4-hydroxy-2-(3-hydroxypropyl)-1H-pyrimidin-6-one (PubChem CID 105434391) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 4-hydroxy-2-(3-hydroxypropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(3-hydroxypropyl)-1H-pyrimidin-6-one
PubChem CID105434391
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name4-hydroxy-2-(3-hydroxypropyl)-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(CCCO)[nH]1
InChIInChI=1S/C7H10N2O3/c10-3-1-2-5-8-6(11)4-7(12)9-5/h4,10H,1-3H2,(H2,8,9,11,12)
InChIKeyFFZNGGDXUMVGEY-UHFFFAOYSA-N
XLogP-0.60
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(3-hydroxypropyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(3-hydroxypropyl)-1H-pyrimidin-6-one (CID 105434391) is 4-hydroxy-2-(3-hydroxypropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(3-hydroxypropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(3-hydroxypropyl)-1H-pyrimidin-6-one is O=c1cc(O)nc(CCCO)[nH]1.
What is the InChIKey of 4-hydroxy-2-(3-hydroxypropyl)-1H-pyrimidin-6-one?
The InChIKey is FFZNGGDXUMVGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c10-3-1-2-5-8-6(11)4-7(12)9-5/h4,10H,1-3H2,(H2,8,9,11,12).
What are the key properties of 4-hydroxy-2-(3-hydroxypropyl)-1H-pyrimidin-6-one?
4-hydroxy-2-(3-hydroxypropyl)-1H-pyrimidin-6-one has a molecular weight of 170.17 g/mol, XLogP of -0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(3-hydroxypropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 105434391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).