8-ethyl-3,5-dihydropyrano[4,3-d]pyrimidin-4-one

C9H10N2O2 — CID 139250530

IUPAC8-ethyl-3,5-dihydropyrano[4,3-d]pyrimidin-4-one
SMILESCCC1=COCc2c1nc[nH]c2=O
InChIInChI=1S/C9H10N2O2/c1-2-6-3-13-4-7-8(6)10-5-11-9(7)12/h3,5H,2,4H2,1H3,(H,10,11,12)
InChIKeyJGBPZEUTBUPXJM-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.05
Rot. Bonds1

About 8-ethyl-3,5-dihydropyrano[4,3-d]pyrimidin-4-one

8-ethyl-3,5-dihydropyrano[4,3-d]pyrimidin-4-one (PubChem CID 139250530) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 8-ethyl-3,5-dihydropyrano[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name8-ethyl-3,5-dihydropyrano[4,3-d]pyrimidin-4-one
PubChem CID139250530
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name8-ethyl-3,5-dihydropyrano[4,3-d]pyrimidin-4-one
SMILESCCC1=COCc2c1nc[nH]c2=O
InChIInChI=1S/C9H10N2O2/c1-2-6-3-13-4-7-8(6)10-5-11-9(7)12/h3,5H,2,4H2,1H3,(H,10,11,12)
InChIKeyJGBPZEUTBUPXJM-UHFFFAOYSA-N
XLogP1.05
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-ethyl-3-prop-2-ynyl-5H-pyrano[4,3-d]pyrimidin-4-one
CID 139250529
Ethane;3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 144917818
Ethane;3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 144956136
4-ethenyl-5-(1-methoxyethenyl)-1H-pyrimidin-6-one
CID 156243746

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3,5-dihydropyrano[4,3-d]pyrimidin-4-one?
The IUPAC name of 8-ethyl-3,5-dihydropyrano[4,3-d]pyrimidin-4-one (CID 139250530) is 8-ethyl-3,5-dihydropyrano[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 8-ethyl-3,5-dihydropyrano[4,3-d]pyrimidin-4-one?
The canonical SMILES for 8-ethyl-3,5-dihydropyrano[4,3-d]pyrimidin-4-one is CCC1=COCc2c1nc[nH]c2=O.
What is the InChIKey of 8-ethyl-3,5-dihydropyrano[4,3-d]pyrimidin-4-one?
The InChIKey is JGBPZEUTBUPXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-2-6-3-13-4-7-8(6)10-5-11-9(7)12/h3,5H,2,4H2,1H3,(H,10,11,12).
What are the key properties of 8-ethyl-3,5-dihydropyrano[4,3-d]pyrimidin-4-one?
8-ethyl-3,5-dihydropyrano[4,3-d]pyrimidin-4-one has a molecular weight of 178.19 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3,5-dihydropyrano[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 139250530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).