1,8a-dihydropyrano[2,3-d]pyrimidin-2-one

C7H6N2O2 — CID 141446976

IUPAC1,8a-dihydropyrano[2,3-d]pyrimidin-2-one
SMILESO=C1N=CC2=CC=COC2N1
InChIInChI=1S/C7H6N2O2/c10-7-8-4-5-2-1-3-11-6(5)9-7/h1-4,6H,(H,9,10)
InChIKeyHKSBGOXOEKBDEX-UHFFFAOYSA-N
MW150.14 g/mol
LogP0.58
Rot. Bonds

About 1,8a-dihydropyrano[2,3-d]pyrimidin-2-one

1,8a-dihydropyrano[2,3-d]pyrimidin-2-one (PubChem CID 141446976) has the molecular formula C7H6N2O2 and a molecular weight of 150.14 g/mol. Its IUPAC name is 1,8a-dihydropyrano[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name1,8a-dihydropyrano[2,3-d]pyrimidin-2-one
PubChem CID141446976
Molecular FormulaC7H6N2O2
Molecular Weight150.14 g/mol
Exact Mass150.04
IUPAC Name1,8a-dihydropyrano[2,3-d]pyrimidin-2-one
SMILESO=C1N=CC2=CC=COC2N1
InChIInChI=1S/C7H6N2O2/c10-7-8-4-5-2-1-3-11-6(5)9-7/h1-4,6H,(H,9,10)
InChIKeyHKSBGOXOEKBDEX-UHFFFAOYSA-N
XLogP0.58
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,8a-dihydropyrano[2,3-d]pyrimidin-2-one?
The IUPAC name of 1,8a-dihydropyrano[2,3-d]pyrimidin-2-one (CID 141446976) is 1,8a-dihydropyrano[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 1,8a-dihydropyrano[2,3-d]pyrimidin-2-one?
The canonical SMILES for 1,8a-dihydropyrano[2,3-d]pyrimidin-2-one is O=C1N=CC2=CC=COC2N1.
What is the InChIKey of 1,8a-dihydropyrano[2,3-d]pyrimidin-2-one?
The InChIKey is HKSBGOXOEKBDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2/c10-7-8-4-5-2-1-3-11-6(5)9-7/h1-4,6H,(H,9,10).
What are the key properties of 1,8a-dihydropyrano[2,3-d]pyrimidin-2-one?
1,8a-dihydropyrano[2,3-d]pyrimidin-2-one has a molecular weight of 150.14 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8a-dihydropyrano[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 141446976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).