3-(2,3-dihydroxypropyl)pyrimidin-4-one

C7H10N2O3 — CID 80718904

IUPAC3-(2,3-dihydroxypropyl)pyrimidin-4-one
SMILESO=c1ccncn1CC(O)CO
InChIInChI=1S/C7H10N2O3/c10-4-6(11)3-9-5-8-2-1-7(9)12/h1-2,5-6,10-11H,3-4H2
InChIKeyLPWWKGSVMGPHPA-UHFFFAOYSA-N
MW170.17 g/mol
LogP-1.40
Rot. Bonds3

About 3-(2,3-dihydroxypropyl)pyrimidin-4-one

3-(2,3-dihydroxypropyl)pyrimidin-4-one (PubChem CID 80718904) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 3-(2,3-dihydroxypropyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(2,3-dihydroxypropyl)pyrimidin-4-one
PubChem CID80718904
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name3-(2,3-dihydroxypropyl)pyrimidin-4-one
SMILESO=c1ccncn1CC(O)CO
InChIInChI=1S/C7H10N2O3/c10-4-6(11)3-9-5-8-2-1-7(9)12/h1-2,5-6,10-11H,3-4H2
InChIKeyLPWWKGSVMGPHPA-UHFFFAOYSA-N
XLogP-1.40
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-Hydroxyethyl)-3,4-dihydropyrimidin-4-one
CID 63769901
3-(3-Fluoro-2-hydroxypropyl)-3,4-dihydropyrimidin-4-one
CID 165787419
1-[(1S)-2,3-dihydroxy-1-(2-hydroxyethoxy)propyl]pyrimidin-4-one
CID 70852632
N'-[1-[(2S)-2,3-dihydroxypropyl]-4-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide
CID 153365611
N'-[1-[(2S)-2,3-dihydroxypropyl]-4-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide
CID 158509980
2-Amino-1-(2,3-dihydroxypropyl)pyrimidin-4-one
CID 163296378
2-amino-1-[(2R)-2,3-dihydroxypropyl]pyrimidin-4-one
CID 167063051
2-amino-1-[(2S)-2,3-dihydroxypropyl]pyrimidin-4-one
CID 167063085
3-(3-Amino-2-hydroxypropyl)pyrimidin-4-one
CID 63768319
3-(Oxiran-2-ylmethyl)pyrimidin-4-one
CID 63768492
3-(2-Hydroxypentyl)pyrimidin-4-one
CID 63769213
3-(3-Hydroxypropyl)-3,4-dihydropyrimidin-4-one
CID 63769899

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroxypropyl)pyrimidin-4-one?
The IUPAC name of 3-(2,3-dihydroxypropyl)pyrimidin-4-one (CID 80718904) is 3-(2,3-dihydroxypropyl)pyrimidin-4-one.
What is the SMILES notation for 3-(2,3-dihydroxypropyl)pyrimidin-4-one?
The canonical SMILES for 3-(2,3-dihydroxypropyl)pyrimidin-4-one is O=c1ccncn1CC(O)CO.
What is the InChIKey of 3-(2,3-dihydroxypropyl)pyrimidin-4-one?
The InChIKey is LPWWKGSVMGPHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c10-4-6(11)3-9-5-8-2-1-7(9)12/h1-2,5-6,10-11H,3-4H2.
What are the key properties of 3-(2,3-dihydroxypropyl)pyrimidin-4-one?
3-(2,3-dihydroxypropyl)pyrimidin-4-one has a molecular weight of 170.17 g/mol, XLogP of -1.40, 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)pyrimidin-4-one is sourced from PubChem (CID 80718904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).