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

C9H12N2O3 — CID 136696186

IUPAC2-(methoxymethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCOCc1nc2c(c(=O)[nH]1)COCC2
InChIInChI=1S/C9H12N2O3/c1-13-5-8-10-7-2-3-14-4-6(7)9(12)11-8/h2-5H2,1H3,(H,10,11,12)
InChIKeyKDGGOQOISZONEX-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.01
Rot. Bonds2

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

2-(methoxymethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (PubChem CID 136696186) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(methoxymethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(methoxymethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
PubChem CID136696186
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-(methoxymethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCOCc1nc2c(c(=O)[nH]1)COCC2
InChIInChI=1S/C9H12N2O3/c1-13-5-8-10-7-2-3-14-4-6(7)9(12)11-8/h2-5H2,1H3,(H,10,11,12)
InChIKeyKDGGOQOISZONEX-UHFFFAOYSA-N
XLogP-0.01
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(methoxymethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-Trifluoroethoxymethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696208
2-(2,2,3,3-Tetrafluoropropoxymethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696284
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-Methyl-7,8-dihydro-3H-pyrano[4,3-d]pyrimidin-4(5H)-one
CID 135741851
2-(Aminomethyl)-7,8-dihydro-3H-pyrano[4,3-D]pyrimidin-4(5H)-one
CID 135741894
2-(Chloromethyl)-7,8-dihydro-3H-pyrano[4,3-D]pyrimidin-4(5H)-one
CID 135741947
2-((isobutylamino)methyl)-7,8-dihydro-3H-pyrano[4,3-d]pyrimidin-4(5H)-one
CID 136244071
2-((propylamino)methyl)-7,8-dihydro-3H-pyrano[4,3-d]pyrimidin-4(5H)-one
CID 136244072
2-(Methylaminomethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136244073

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(methoxymethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (CID 136696186) is 2-(methoxymethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(methoxymethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(methoxymethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is COCc1nc2c(c(=O)[nH]1)COCC2.
What is the InChIKey of 2-(methoxymethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The InChIKey is KDGGOQOISZONEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-13-5-8-10-7-2-3-14-4-6(7)9(12)11-8/h2-5H2,1H3,(H,10,11,12).
What are the key properties of 2-(methoxymethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
2-(methoxymethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one has a molecular weight of 196.21 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136696186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).