3-(2,3-dihydroxypropyl)-6-methylpyrimidin-4-one

C8H12N2O3 — CID 82707509

IUPAC3-(2,3-dihydroxypropyl)-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(O)CO)cn1
InChIInChI=1S/C8H12N2O3/c1-6-2-8(13)10(5-9-6)3-7(12)4-11/h2,5,7,11-12H,3-4H2,1H3
InChIKeyLCQUGLCTUOWFOC-UHFFFAOYSA-N
MW184.20 g/mol
LogP-1.10
Rot. Bonds3

About 3-(2,3-dihydroxypropyl)-6-methylpyrimidin-4-one

3-(2,3-dihydroxypropyl)-6-methylpyrimidin-4-one (PubChem CID 82707509) has the molecular formula C8H12N2O3 and a molecular weight of 184.20 g/mol. Its IUPAC name is 3-(2,3-dihydroxypropyl)-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-(2,3-dihydroxypropyl)-6-methylpyrimidin-4-one
PubChem CID82707509
Molecular FormulaC8H12N2O3
Molecular Weight184.20 g/mol
Exact Mass184.08
IUPAC Name3-(2,3-dihydroxypropyl)-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(O)CO)cn1
InChIInChI=1S/C8H12N2O3/c1-6-2-8(13)10(5-9-6)3-7(12)4-11/h2,5,7,11-12H,3-4H2,1H3
InChIKeyLCQUGLCTUOWFOC-UHFFFAOYSA-N
XLogP-1.10
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroxypropyl)-6-methylpyrimidin-4-one?
The IUPAC name of 3-(2,3-dihydroxypropyl)-6-methylpyrimidin-4-one (CID 82707509) is 3-(2,3-dihydroxypropyl)-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-(2,3-dihydroxypropyl)-6-methylpyrimidin-4-one?
The canonical SMILES for 3-(2,3-dihydroxypropyl)-6-methylpyrimidin-4-one is Cc1cc(=O)n(CC(O)CO)cn1.
What is the InChIKey of 3-(2,3-dihydroxypropyl)-6-methylpyrimidin-4-one?
The InChIKey is LCQUGLCTUOWFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-6-2-8(13)10(5-9-6)3-7(12)4-11/h2,5,7,11-12H,3-4H2,1H3.
What are the key properties of 3-(2,3-dihydroxypropyl)-6-methylpyrimidin-4-one?
3-(2,3-dihydroxypropyl)-6-methylpyrimidin-4-one has a molecular weight of 184.20 g/mol, XLogP of -1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroxypropyl)-6-methylpyrimidin-4-one is sourced from PubChem (CID 82707509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).