2-(3-hydroxypropyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one

C9H12N2O3 — CID 136693546

IUPAC2-(3-hydroxypropyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(CCCO)nc2c1COC2
InChIInChI=1S/C9H12N2O3/c12-3-1-2-8-10-7-5-14-4-6(7)9(13)11-8/h12H,1-5H2,(H,10,11,13)
InChIKeyVWSBXDXWALSWTR-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.28
Rot. Bonds3

About 2-(3-hydroxypropyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one

2-(3-hydroxypropyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one (PubChem CID 136693546) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
PubChem CID136693546
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-(3-hydroxypropyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(CCCO)nc2c1COC2
InChIInChI=1S/C9H12N2O3/c12-3-1-2-8-10-7-5-14-4-6(7)9(13)11-8/h12H,1-5H2,(H,10,11,13)
InChIKeyVWSBXDXWALSWTR-UHFFFAOYSA-N
XLogP-0.28
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(3-hydroxypropyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one (CID 136693546) is 2-(3-hydroxypropyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(3-hydroxypropyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(3-hydroxypropyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one is O=c1[nH]c(CCCO)nc2c1COC2.
What is the InChIKey of 2-(3-hydroxypropyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one?
The InChIKey is VWSBXDXWALSWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c12-3-1-2-8-10-7-5-14-4-6(7)9(13)11-8/h12H,1-5H2,(H,10,11,13).
What are the key properties of 2-(3-hydroxypropyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one?
2-(3-hydroxypropyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one has a molecular weight of 196.21 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136693546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).