4-chloro-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine

C6H6ClN3O — CID 83668205

IUPAC4-chloro-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine
SMILESNc1nc(Cl)c2c(n1)COC2
InChIInChI=1S/C6H6ClN3O/c7-5-3-1-11-2-4(3)9-6(8)10-5/h1-2H2,(H2,8,9,10)
InChIKeyMSDJEOZYBIHLTK-UHFFFAOYSA-N
MW171.59 g/mol
LogP0.74
Rot. Bonds

About 4-chloro-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine

4-chloro-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine (PubChem CID 83668205) has the molecular formula C6H6ClN3O and a molecular weight of 171.59 g/mol. Its IUPAC name is 4-chloro-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine
PubChem CID83668205
Molecular FormulaC6H6ClN3O
Molecular Weight171.59 g/mol
Exact Mass171.02
IUPAC Name4-chloro-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine
SMILESNc1nc(Cl)c2c(n1)COC2
InChIInChI=1S/C6H6ClN3O/c7-5-3-1-11-2-4(3)9-6(8)10-5/h1-2H2,(H2,8,9,10)
InChIKeyMSDJEOZYBIHLTK-UHFFFAOYSA-N
XLogP0.74
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.59
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine?
The IUPAC name of 4-chloro-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine (CID 83668205) is 4-chloro-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine is Nc1nc(Cl)c2c(n1)COC2.
What is the InChIKey of 4-chloro-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine?
The InChIKey is MSDJEOZYBIHLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN3O/c7-5-3-1-11-2-4(3)9-6(8)10-5/h1-2H2,(H2,8,9,10).
What are the key properties of 4-chloro-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine?
4-chloro-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine has a molecular weight of 171.59 g/mol, XLogP of 0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 83668205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).