2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one

C9H12N2O2 — CID 43654587

IUPAC2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(CC2CCCO2)[nH]1
InChIInChI=1S/C9H12N2O2/c12-9-3-4-10-8(11-9)6-7-2-1-5-13-7/h3-4,7H,1-2,5-6H2,(H,10,11,12)
InChIKeyGRSLYQHYUHDDNP-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.49
Rot. Bonds2

About 2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one

2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 43654587) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
PubChem CID43654587
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(CC2CCCO2)[nH]1
InChIInChI=1S/C9H12N2O2/c12-9-3-4-10-8(11-9)6-7-2-1-5-13-7/h3-4,7H,1-2,5-6H2,(H,10,11,12)
InChIKeyGRSLYQHYUHDDNP-UHFFFAOYSA-N
XLogP0.49
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Oxolan-2-yl)pyrimidin-4-ol
CID 65331461
2-(oxolan-3-yl)-1H-pyrimidin-6-one
CID 62313451
4-hydroxy-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 63612257
5-iodo-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 66314917
5-bromo-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 66315115
5-(aminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 82507785
2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 82837620
6-oxo-2-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carbonitrile
CID 104189800
2-(2-methoxypropyl)-1H-pyrimidin-6-one
CID 104249107
2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 104249108
5-(bromomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 133675761
4-(aminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 135978361

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one (CID 43654587) is 2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one is O=c1ccnc(CC2CCCO2)[nH]1.
What is the InChIKey of 2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is GRSLYQHYUHDDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-9-3-4-10-8(11-9)6-7-2-1-5-13-7/h3-4,7H,1-2,5-6H2,(H,10,11,12).
What are the key properties of 2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one?
2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 180.21 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 43654587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).