4a,7a-dihydro-1H-furo[2,3-d]pyrimidin-2-one

C6H6N2O2 — CID 90751882

IUPAC4a,7a-dihydro-1H-furo[2,3-d]pyrimidin-2-one
SMILESO=C1N=CC2C=COC2N1
InChIInChI=1S/C6H6N2O2/c9-6-7-3-4-1-2-10-5(4)8-6/h1-5H,(H,8,9)
InChIKeyOYEHBTRQPRYNKM-UHFFFAOYSA-N
MW138.13 g/mol
LogP0.27
Rot. Bonds

About 4a,7a-dihydro-1H-furo[2,3-d]pyrimidin-2-one

4a,7a-dihydro-1H-furo[2,3-d]pyrimidin-2-one (PubChem CID 90751882) has the molecular formula C6H6N2O2 and a molecular weight of 138.13 g/mol. Its IUPAC name is 4a,7a-dihydro-1H-furo[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4a,7a-dihydro-1H-furo[2,3-d]pyrimidin-2-one
PubChem CID90751882
Molecular FormulaC6H6N2O2
Molecular Weight138.13 g/mol
Exact Mass138.04
IUPAC Name4a,7a-dihydro-1H-furo[2,3-d]pyrimidin-2-one
SMILESO=C1N=CC2C=COC2N1
InChIInChI=1S/C6H6N2O2/c9-6-7-3-4-1-2-10-5(4)8-6/h1-5H,(H,8,9)
InChIKeyOYEHBTRQPRYNKM-UHFFFAOYSA-N
XLogP0.27
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-hydroxy-1,6-dihydropyrimidine-2,5-dione
CID 141306716
3a,6a-dihydrofuro[2,3-b]furan
CID 123720503
(1R,5S)-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-7-one
CID 22812127
(3aS,4S,7aS)-4-methyl-1,3a,4,7a-tetrahydropyrano[4,3-d][1,3]oxazol-2-one
CID 102397144
4aH-furo[2,3-d]pyrimidin-2-one
CID 72747618
2,3,3a,4-tetrahydrotriazolo[4,5-d]pyrimidin-5-one
CID 56610917
2-azabicyclo[2.2.0]hex-5-en-3-one
CID 542871
(1S,2S,5R,6S)-3,7-diazatricyclo[4.2.2.22,5]dodeca-9,11-diene-4,8-dione
CID 6947146
7,9-bis(trimethylsilyl)tetracyclo[4.3.0.02,9.05,7]non-3-en-8-one
CID 85424284
4-pyrimidin-2-yl-4H-oxazin-3-one
CID 67547168
3a,7a-dihydro-1-benzofuran-7-carbaldehyde
CID 22592403
3-azatricyclo[4.2.2.02,5]deca-7,9-dien-4-one
CID 55286164

Frequently Asked Questions

What is the IUPAC name of 4a,7a-dihydro-1H-furo[2,3-d]pyrimidin-2-one?
The IUPAC name of 4a,7a-dihydro-1H-furo[2,3-d]pyrimidin-2-one (CID 90751882) is 4a,7a-dihydro-1H-furo[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4a,7a-dihydro-1H-furo[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4a,7a-dihydro-1H-furo[2,3-d]pyrimidin-2-one is O=C1N=CC2C=COC2N1.
What is the InChIKey of 4a,7a-dihydro-1H-furo[2,3-d]pyrimidin-2-one?
The InChIKey is OYEHBTRQPRYNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2/c9-6-7-3-4-1-2-10-5(4)8-6/h1-5H,(H,8,9).
What are the key properties of 4a,7a-dihydro-1H-furo[2,3-d]pyrimidin-2-one?
4a,7a-dihydro-1H-furo[2,3-d]pyrimidin-2-one has a molecular weight of 138.13 g/mol, XLogP of 0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,7a-dihydro-1H-furo[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 90751882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).