2-propan-2-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

C10H14N2O2 — CID 136696187

IUPAC2-propan-2-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCC(C)c1nc2c(c(=O)[nH]1)COCC2
InChIInChI=1S/C10H14N2O2/c1-6(2)9-11-8-3-4-14-5-7(8)10(13)12-9/h6H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyJSJQUYIDPVUALA-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.97
Rot. Bonds1

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

2-propan-2-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (PubChem CID 136696187) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-propan-2-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-propan-2-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
PubChem CID136696187
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-propan-2-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCC(C)c1nc2c(c(=O)[nH]1)COCC2
InChIInChI=1S/C10H14N2O2/c1-6(2)9-11-8-3-4-14-5-7(8)10(13)12-9/h6H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyJSJQUYIDPVUALA-UHFFFAOYSA-N
XLogP0.97
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-((2-fluoroethylamino)methyl)-7,8-dihydro-3H-pyrano[4,3-d]pyrimidin-4(5H)-one
CID 136627235
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

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-propan-2-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (CID 136696187) is 2-propan-2-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-propan-2-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-propan-2-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is CC(C)c1nc2c(c(=O)[nH]1)COCC2.
What is the InChIKey of 2-propan-2-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The InChIKey is JSJQUYIDPVUALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-6(2)9-11-8-3-4-14-5-7(8)10(13)12-9/h6H,3-5H2,1-2H3,(H,11,12,13).
What are the key properties of 2-propan-2-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
2-propan-2-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one has a molecular weight of 194.23 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136696187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).