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

C9H10N2O3 — CID 136693520

IUPAC2-acetyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCC(=O)c1nc2c(c(=O)[nH]1)COCC2
InChIInChI=1S/C9H10N2O3/c1-5(12)8-10-7-2-3-14-4-6(7)9(13)11-8/h2-4H2,1H3,(H,10,11,13)
InChIKeyYEKJKAQIEAQIJA-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.05
Rot. Bonds1

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

2-acetyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (PubChem CID 136693520) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-acetyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-acetyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
PubChem CID136693520
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name2-acetyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCC(=O)c1nc2c(c(=O)[nH]1)COCC2
InChIInChI=1S/C9H10N2O3/c1-5(12)8-10-7-2-3-14-4-6(7)9(13)11-8/h2-4H2,1H3,(H,10,11,13)
InChIKeyYEKJKAQIEAQIJA-UHFFFAOYSA-N
XLogP0.05
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.05
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-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
2-(1-Chloroethyl)-7,8-dihydro-3H-pyrano[4,3-d]pyrimidin-4(5H)-one
CID 136627253
3-(4-Oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)propanamide
CID 136627273
2-Butan-2-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696218
2-Ethyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696292
Ethane;2-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 144917811
Ethane;2-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 144917824

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-acetyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (CID 136693520) is 2-acetyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-acetyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-acetyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is CC(=O)c1nc2c(c(=O)[nH]1)COCC2.
What is the InChIKey of 2-acetyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The InChIKey is YEKJKAQIEAQIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-5(12)8-10-7-2-3-14-4-6(7)9(13)11-8/h2-4H2,1H3,(H,10,11,13).
What are the key properties of 2-acetyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
2-acetyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one has a molecular weight of 194.19 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136693520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).