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

C6H5ClN2O2 — CID 136743884

IUPAC2-chloro-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(Cl)nc2c1COC2
InChIInChI=1S/C6H5ClN2O2/c7-6-8-4-2-11-1-3(4)5(10)9-6/h1-2H2,(H,8,9,10)
InChIKeyFBOANQMIFSDBHG-UHFFFAOYSA-N
MW172.57 g/mol
LogP0.45
Rot. Bonds

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

2-chloro-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one (PubChem CID 136743884) has the molecular formula C6H5ClN2O2 and a molecular weight of 172.57 g/mol. Its IUPAC name is 2-chloro-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-chloro-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
PubChem CID136743884
Molecular FormulaC6H5ClN2O2
Molecular Weight172.57 g/mol
Exact Mass172.00
IUPAC Name2-chloro-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(Cl)nc2c1COC2
InChIInChI=1S/C6H5ClN2O2/c7-6-8-4-2-11-1-3(4)5(10)9-6/h1-2H2,(H,8,9,10)
InChIKeyFBOANQMIFSDBHG-UHFFFAOYSA-N
XLogP0.45
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.57
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-chloro-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one (CID 136743884) is 2-chloro-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-chloro-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-chloro-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one is O=c1[nH]c(Cl)nc2c1COC2.
What is the InChIKey of 2-chloro-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one?
The InChIKey is FBOANQMIFSDBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O2/c7-6-8-4-2-11-1-3(4)5(10)9-6/h1-2H2,(H,8,9,10).
What are the key properties of 2-chloro-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one?
2-chloro-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one has a molecular weight of 172.57 g/mol, XLogP of 0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136743884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).