2-(1-methoxyethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

C10H14N2O3 — CID 136696169

IUPAC2-(1-methoxyethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCOC(C)c1nc2c(c(=O)[nH]1)COCC2
InChIInChI=1S/C10H14N2O3/c1-6(14-2)9-11-8-3-4-15-5-7(8)10(13)12-9/h6H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyXKOUBKCDVOVVPI-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.55
Rot. Bonds2

About 2-(1-methoxyethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

2-(1-methoxyethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (PubChem CID 136696169) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(1-methoxyethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-methoxyethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
PubChem CID136696169
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-(1-methoxyethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCOC(C)c1nc2c(c(=O)[nH]1)COCC2
InChIInChI=1S/C10H14N2O3/c1-6(14-2)9-11-8-3-4-15-5-7(8)10(13)12-9/h6H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyXKOUBKCDVOVVPI-UHFFFAOYSA-N
XLogP0.55
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.55
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-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
2,5,7-trimethyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
CID 136442752
2,7-dimethyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
CID 136442772
2-Tert-butyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136612915
2-[(2-Methoxy-ethylamino)-methyl]-3,5,7,8tetrahydro-pyrano[4,3-d]pyrimidin-4-one
CID 136627242
2-(1-Chloroethyl)-7,8-dihydro-3H-pyrano[4,3-d]pyrimidin-4(5H)-one
CID 136627253

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(1-methoxyethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (CID 136696169) is 2-(1-methoxyethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1-methoxyethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(1-methoxyethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is COC(C)c1nc2c(c(=O)[nH]1)COCC2.
What is the InChIKey of 2-(1-methoxyethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The InChIKey is XKOUBKCDVOVVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6(14-2)9-11-8-3-4-15-5-7(8)10(13)12-9/h6H,3-5H2,1-2H3,(H,11,12,13).
What are the key properties of 2-(1-methoxyethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
2-(1-methoxyethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one has a molecular weight of 210.23 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136696169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).