2,4-dichloro-5H-furo[3,4-d]pyrimidin-7-one

C6H2Cl2N2O2 — CID 23125097

IUPAC2,4-dichloro-5H-furo[3,4-d]pyrimidin-7-one
SMILESO=C1OCc2c(Cl)nc(Cl)nc21
InChIInChI=1S/C6H2Cl2N2O2/c7-4-2-1-12-5(11)3(2)9-6(8)10-4/h1H2
InChIKeyWOUKNUDUMXLPNO-UHFFFAOYSA-N
MW205.00 g/mol
LogP1.45
Rot. Bonds

About 2,4-dichloro-5H-furo[3,4-d]pyrimidin-7-one

2,4-dichloro-5H-furo[3,4-d]pyrimidin-7-one (PubChem CID 23125097) has the molecular formula C6H2Cl2N2O2 and a molecular weight of 205.00 g/mol. Its IUPAC name is 2,4-dichloro-5H-furo[3,4-d]pyrimidin-7-one.

Molecular Properties

Compound Name2,4-dichloro-5H-furo[3,4-d]pyrimidin-7-one
PubChem CID23125097
Molecular FormulaC6H2Cl2N2O2
Molecular Weight205.00 g/mol
Exact Mass203.95
IUPAC Name2,4-dichloro-5H-furo[3,4-d]pyrimidin-7-one
SMILESO=C1OCc2c(Cl)nc(Cl)nc21
InChIInChI=1S/C6H2Cl2N2O2/c7-4-2-1-12-5(11)3(2)9-6(8)10-4/h1H2
InChIKeyWOUKNUDUMXLPNO-UHFFFAOYSA-N
XLogP1.45
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.00
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5H-furo[3,4-d]pyrimidin-7-one?
The IUPAC name of 2,4-dichloro-5H-furo[3,4-d]pyrimidin-7-one (CID 23125097) is 2,4-dichloro-5H-furo[3,4-d]pyrimidin-7-one.
What is the SMILES notation for 2,4-dichloro-5H-furo[3,4-d]pyrimidin-7-one?
The canonical SMILES for 2,4-dichloro-5H-furo[3,4-d]pyrimidin-7-one is O=C1OCc2c(Cl)nc(Cl)nc21.
What is the InChIKey of 2,4-dichloro-5H-furo[3,4-d]pyrimidin-7-one?
The InChIKey is WOUKNUDUMXLPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2N2O2/c7-4-2-1-12-5(11)3(2)9-6(8)10-4/h1H2.
What are the key properties of 2,4-dichloro-5H-furo[3,4-d]pyrimidin-7-one?
2,4-dichloro-5H-furo[3,4-d]pyrimidin-7-one has a molecular weight of 205.00 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5H-furo[3,4-d]pyrimidin-7-one is sourced from PubChem (CID 23125097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).