4-(hydroxymethyl)-2-(oxolan-3-yl)-1H-pyrimidin-6-one

C9H12N2O3 — CID 137264745

IUPAC4-(hydroxymethyl)-2-(oxolan-3-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(CO)nc(C2CCOC2)[nH]1
InChIInChI=1S/C9H12N2O3/c12-4-7-3-8(13)11-9(10-7)6-1-2-14-5-6/h3,6,12H,1-2,4-5H2,(H,10,11,13)
InChIKeyXRJRFFCAXXYSIT-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.23
Rot. Bonds2

About 4-(hydroxymethyl)-2-(oxolan-3-yl)-1H-pyrimidin-6-one

4-(hydroxymethyl)-2-(oxolan-3-yl)-1H-pyrimidin-6-one (PubChem CID 137264745) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 4-(hydroxymethyl)-2-(oxolan-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-2-(oxolan-3-yl)-1H-pyrimidin-6-one
PubChem CID137264745
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name4-(hydroxymethyl)-2-(oxolan-3-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(CO)nc(C2CCOC2)[nH]1
InChIInChI=1S/C9H12N2O3/c12-4-7-3-8(13)11-9(10-7)6-1-2-14-5-6/h3,6,12H,1-2,4-5H2,(H,10,11,13)
InChIKeyXRJRFFCAXXYSIT-UHFFFAOYSA-N
XLogP-0.23
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopentyl-2-(oxan-3-yl)-1H-pyrimidin-6-one
CID 136964441
4-(chloromethyl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 135524389
2-cyclopropyl-4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one
CID 136786682
N-methyl-2-(oxan-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 146152825
4-(chloromethyl)-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
CID 136886289
[5-methyl-2-(oxolan-3-yl)-1H-imidazol-4-yl]methanamine
CID 115015957
5-methyl-2-(oxolan-3-yl)-1H-imidazole-4-carboxylic acid
CID 115020549
4-(methylaminomethyl)-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
CID 136886307
5-(4-chlorophenyl)-4-hydroxy-2-(oxolan-3-yl)-1H-pyrimidin-6-one
CID 79442335
[2-(oxolan-3-yl)-1H-imidazol-5-yl]methanamine
CID 65329506
4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid
CID 136959134
6-methyl-2-(oxolan-3-yl)-1H-benzimidazole
CID 61311575

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-2-(oxolan-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(hydroxymethyl)-2-(oxolan-3-yl)-1H-pyrimidin-6-one (CID 137264745) is 4-(hydroxymethyl)-2-(oxolan-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(hydroxymethyl)-2-(oxolan-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(hydroxymethyl)-2-(oxolan-3-yl)-1H-pyrimidin-6-one is O=c1cc(CO)nc(C2CCOC2)[nH]1.
What is the InChIKey of 4-(hydroxymethyl)-2-(oxolan-3-yl)-1H-pyrimidin-6-one?
The InChIKey is XRJRFFCAXXYSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c12-4-7-3-8(13)11-9(10-7)6-1-2-14-5-6/h3,6,12H,1-2,4-5H2,(H,10,11,13).
What are the key properties of 4-(hydroxymethyl)-2-(oxolan-3-yl)-1H-pyrimidin-6-one?
4-(hydroxymethyl)-2-(oxolan-3-yl)-1H-pyrimidin-6-one has a molecular weight of 196.21 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-2-(oxolan-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137264745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).