4aH-furo[2,3-d]pyrimidin-2-one

C6H4N2O2 — CID 72747618

IUPAC4aH-furo[2,3-d]pyrimidin-2-one
SMILESO=C1N=CC2C=COC2=N1
InChIInChI=1S/C6H4N2O2/c9-6-7-3-4-1-2-10-5(4)8-6/h1-4H
InChIKeyHFDCSLQPLSVWAN-UHFFFAOYSA-N
MW136.11 g/mol
LogP0.75
Rot. Bonds

About 4aH-furo[2,3-d]pyrimidin-2-one

4aH-furo[2,3-d]pyrimidin-2-one (PubChem CID 72747618) has the molecular formula C6H4N2O2 and a molecular weight of 136.11 g/mol. Its IUPAC name is 4aH-furo[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4aH-furo[2,3-d]pyrimidin-2-one
PubChem CID72747618
Molecular FormulaC6H4N2O2
Molecular Weight136.11 g/mol
Exact Mass136.03
IUPAC Name4aH-furo[2,3-d]pyrimidin-2-one
SMILESO=C1N=CC2C=COC2=N1
InChIInChI=1S/C6H4N2O2/c9-6-7-3-4-1-2-10-5(4)8-6/h1-4H
InChIKeyHFDCSLQPLSVWAN-UHFFFAOYSA-N
XLogP0.75
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.11
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 75973825
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CID 24870984
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CID 89442091
4-trimethylsilylimidazol-2-one
CID 174325997
4-(dihydroxymethyl)imidazol-2-one
CID 141266084
3,4-dihydroxy-3,4-dihydropyran-2-one
CID 70468189
(1S,2R,4R,6R,8R,9R)-5-oxatetracyclo[7.2.1.02,8.04,6]dodec-10-ene-3,7-dione
CID 99644679
(1R,2S,4S,6R,8R,9R)-5-oxatetracyclo[7.2.1.02,8.04,6]dodec-10-ene-3,7-dione
CID 124712829
4a,7a-dihydro-1H-furo[2,3-d]pyrimidin-2-one
CID 90751882
3-phenoxy-3H-furan-2-one
CID 11788579
(4E)-4-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)-2-phenyl-1,3-oxazol-5-one
CID 58657938
6-oxo-3H-pyridine-3-carbonitrile
CID 71303740

Frequently Asked Questions

What is the IUPAC name of 4aH-furo[2,3-d]pyrimidin-2-one?
The IUPAC name of 4aH-furo[2,3-d]pyrimidin-2-one (CID 72747618) is 4aH-furo[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4aH-furo[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4aH-furo[2,3-d]pyrimidin-2-one is O=C1N=CC2C=COC2=N1.
What is the InChIKey of 4aH-furo[2,3-d]pyrimidin-2-one?
The InChIKey is HFDCSLQPLSVWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O2/c9-6-7-3-4-1-2-10-5(4)8-6/h1-4H.
What are the key properties of 4aH-furo[2,3-d]pyrimidin-2-one?
4aH-furo[2,3-d]pyrimidin-2-one has a molecular weight of 136.11 g/mol, XLogP of 0.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4aH-furo[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 72747618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).