3-(3-hydroxypropyl)-2-methoxy-5-methylpyrimidin-4-one

C9H14N2O3 — CID 10726614

IUPAC3-(3-hydroxypropyl)-2-methoxy-5-methylpyrimidin-4-one
SMILESCOc1ncc(C)c(=O)n1CCCO
InChIInChI=1S/C9H14N2O3/c1-7-6-10-9(14-2)11(8(7)13)4-3-5-12/h6,12H,3-5H2,1-2H3
InChIKeyAWHWKHAMVKTGMR-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.06
Rot. Bonds4

About 3-(3-hydroxypropyl)-2-methoxy-5-methylpyrimidin-4-one

3-(3-hydroxypropyl)-2-methoxy-5-methylpyrimidin-4-one (PubChem CID 10726614) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)-2-methoxy-5-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-(3-hydroxypropyl)-2-methoxy-5-methylpyrimidin-4-one
PubChem CID10726614
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name3-(3-hydroxypropyl)-2-methoxy-5-methylpyrimidin-4-one
SMILESCOc1ncc(C)c(=O)n1CCCO
InChIInChI=1S/C9H14N2O3/c1-7-6-10-9(14-2)11(8(7)13)4-3-5-12/h6,12H,3-5H2,1-2H3
InChIKeyAWHWKHAMVKTGMR-UHFFFAOYSA-N
XLogP-0.06
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropyl)-2-methoxy-5-methylpyrimidin-4-one?
The IUPAC name of 3-(3-hydroxypropyl)-2-methoxy-5-methylpyrimidin-4-one (CID 10726614) is 3-(3-hydroxypropyl)-2-methoxy-5-methylpyrimidin-4-one.
What is the SMILES notation for 3-(3-hydroxypropyl)-2-methoxy-5-methylpyrimidin-4-one?
The canonical SMILES for 3-(3-hydroxypropyl)-2-methoxy-5-methylpyrimidin-4-one is COc1ncc(C)c(=O)n1CCCO.
What is the InChIKey of 3-(3-hydroxypropyl)-2-methoxy-5-methylpyrimidin-4-one?
The InChIKey is AWHWKHAMVKTGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-7-6-10-9(14-2)11(8(7)13)4-3-5-12/h6,12H,3-5H2,1-2H3.
What are the key properties of 3-(3-hydroxypropyl)-2-methoxy-5-methylpyrimidin-4-one?
3-(3-hydroxypropyl)-2-methoxy-5-methylpyrimidin-4-one has a molecular weight of 198.22 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropyl)-2-methoxy-5-methylpyrimidin-4-one is sourced from PubChem (CID 10726614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).