2-(oxolan-3-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

C11H14N2O3 — CID 136696221

IUPAC2-(oxolan-3-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2CCOC2)nc2c1COCC2
InChIInChI=1S/C11H14N2O3/c14-11-8-6-16-4-2-9(8)12-10(13-11)7-1-3-15-5-7/h7H,1-6H2,(H,12,13,14)
InChIKeyKKKNYIBQRDYSEN-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.35
Rot. Bonds1

About 2-(oxolan-3-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

2-(oxolan-3-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (PubChem CID 136696221) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-(oxolan-3-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(oxolan-3-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
PubChem CID136696221
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-(oxolan-3-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2CCOC2)nc2c1COCC2
InChIInChI=1S/C11H14N2O3/c14-11-8-6-16-4-2-9(8)12-10(13-11)7-1-3-15-5-7/h7H,1-6H2,(H,12,13,14)
InChIKeyKKKNYIBQRDYSEN-UHFFFAOYSA-N
XLogP0.35
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2,2,2-Trifluoroethoxy)ethyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696151
2-(2,2,2-Trifluoroethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696335
2-(3,3,3-Trifluoropropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136982249
2-[2-(2,2-Difluoroethoxy)ethyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136982269
2-(3,3-Difluorocyclopentyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 137010989
2-Methyl-7,8-dihydro-3H-pyrano[4,3-d]pyrimidin-4(5H)-one
CID 135741851
2-Tert-butyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136612915
(S)-2-((2-methylbutylamino)methyl)-7,8-dihydro-3H-pyrano[4,3-d]pyrimidin-4(5H)-one
CID 136627230
2-[(2-Methylbutylamino)methyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136627231
2-[[methyl-[(2S)-oxolan-2-yl]amino]methyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136627233
2-[[methyl-[(2R)-oxolan-2-yl]amino]methyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136627255
3-(4-Oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)propanamide
CID 136627273

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(oxolan-3-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (CID 136696221) is 2-(oxolan-3-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(oxolan-3-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(oxolan-3-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is O=c1[nH]c(C2CCOC2)nc2c1COCC2.
What is the InChIKey of 2-(oxolan-3-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The InChIKey is KKKNYIBQRDYSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c14-11-8-6-16-4-2-9(8)12-10(13-11)7-1-3-15-5-7/h7H,1-6H2,(H,12,13,14).
What are the key properties of 2-(oxolan-3-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
2-(oxolan-3-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one has a molecular weight of 222.24 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136696221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).