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

C9H12N2O3 — CID 137191445

IUPAC2-(hydroxymethyl)-4-(oxolan-2-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(C2CCCO2)nc(CO)[nH]1
InChIInChI=1S/C9H12N2O3/c12-5-8-10-6(4-9(13)11-8)7-2-1-3-14-7/h4,7,12H,1-3,5H2,(H,10,11,13)
InChIKeyFSFMAEDUCBQUOM-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.11
Rot. Bonds2

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

2-(hydroxymethyl)-4-(oxolan-2-yl)-1H-pyrimidin-6-one (PubChem CID 137191445) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-(oxolan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-(oxolan-2-yl)-1H-pyrimidin-6-one
PubChem CID137191445
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-(hydroxymethyl)-4-(oxolan-2-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(C2CCCO2)nc(CO)[nH]1
InChIInChI=1S/C9H12N2O3/c12-5-8-10-6(4-9(13)11-8)7-2-1-3-14-7/h4,7,12H,1-3,5H2,(H,10,11,13)
InChIKeyFSFMAEDUCBQUOM-UHFFFAOYSA-N
XLogP0.11
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 ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(chloromethyl)-4-[(2S)-oxolan-2-yl]-1H-pyrimidin-6-one
CID 137119603
5-chloro-3-(oxolan-2-yl)-1H-pyridazin-6-one
CID 117105684
2,6-bis(oxolan-2-yl)pyridine-4-carbonitrile
CID 14024161
4-chloro-2-(chloromethyl)-6-(oxolan-2-yl)pyrimidine
CID 102538380
4-[4-(2-hydroxyethyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 136844416
2-[2-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]-4-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 135887647
4-(cyclohexyloxymethyl)-2-(hydroxymethyl)-1H-pyrimidin-6-one
CID 136842575
N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide
CID 167921664
2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 65331461
4-cyclopentyl-2-(oxan-3-yl)-1H-pyrimidin-6-one
CID 136964441
4-cyclopentyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 136729455
4-cyclopropyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 135975532

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4-(oxolan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(hydroxymethyl)-4-(oxolan-2-yl)-1H-pyrimidin-6-one (CID 137191445) is 2-(hydroxymethyl)-4-(oxolan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(hydroxymethyl)-4-(oxolan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(hydroxymethyl)-4-(oxolan-2-yl)-1H-pyrimidin-6-one is O=c1cc(C2CCCO2)nc(CO)[nH]1.
What is the InChIKey of 2-(hydroxymethyl)-4-(oxolan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is FSFMAEDUCBQUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c12-5-8-10-6(4-9(13)11-8)7-2-1-3-14-7/h4,7,12H,1-3,5H2,(H,10,11,13).
What are the key properties of 2-(hydroxymethyl)-4-(oxolan-2-yl)-1H-pyrimidin-6-one?
2-(hydroxymethyl)-4-(oxolan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 196.21 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4-(oxolan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137191445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).