4-chloro-5,6-dihydrofuro[2,3-d]pyrimidine

C6H5ClN2O — CID 83668197

IUPAC4-chloro-5,6-dihydrofuro[2,3-d]pyrimidine
SMILESClc1ncnc2c1CCO2
InChIInChI=1S/C6H5ClN2O/c7-5-4-1-2-10-6(4)9-3-8-5/h3H,1-2H2
InChIKeyBACUQWMJZXSMKW-UHFFFAOYSA-N
MW156.57 g/mol
LogP1.06
Rot. Bonds

About 4-chloro-5,6-dihydrofuro[2,3-d]pyrimidine

4-chloro-5,6-dihydrofuro[2,3-d]pyrimidine (PubChem CID 83668197) has the molecular formula C6H5ClN2O and a molecular weight of 156.57 g/mol. Its IUPAC name is 4-chloro-5,6-dihydrofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-5,6-dihydrofuro[2,3-d]pyrimidine
PubChem CID83668197
Molecular FormulaC6H5ClN2O
Molecular Weight156.57 g/mol
Exact Mass156.01
IUPAC Name4-chloro-5,6-dihydrofuro[2,3-d]pyrimidine
SMILESClc1ncnc2c1CCO2
InChIInChI=1S/C6H5ClN2O/c7-5-4-1-2-10-6(4)9-3-8-5/h3H,1-2H2
InChIKeyBACUQWMJZXSMKW-UHFFFAOYSA-N
XLogP1.06
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.57
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,6-dihydrofuro[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-5,6-dihydrofuro[2,3-d]pyrimidine (CID 83668197) is 4-chloro-5,6-dihydrofuro[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-5,6-dihydrofuro[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-5,6-dihydrofuro[2,3-d]pyrimidine is Clc1ncnc2c1CCO2.
What is the InChIKey of 4-chloro-5,6-dihydrofuro[2,3-d]pyrimidine?
The InChIKey is BACUQWMJZXSMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O/c7-5-4-1-2-10-6(4)9-3-8-5/h3H,1-2H2.
What are the key properties of 4-chloro-5,6-dihydrofuro[2,3-d]pyrimidine?
4-chloro-5,6-dihydrofuro[2,3-d]pyrimidine has a molecular weight of 156.57 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,6-dihydrofuro[2,3-d]pyrimidine is sourced from PubChem (CID 83668197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).