2-(4-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine

C12H10FN3O — CID 83862369

IUPAC2-(4-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccc(F)cc2)nc2c1COC2
InChIInChI=1S/C12H10FN3O/c13-8-3-1-7(2-4-8)12-15-10-6-17-5-9(10)11(14)16-12/h1-4H,5-6H2,(H2,14,15,16)
InChIKeyRMIPPGRTJHJGER-UHFFFAOYSA-N
MW231.23 g/mol
LogP1.90
Rot. Bonds1

About 2-(4-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine

2-(4-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine (PubChem CID 83862369) has the molecular formula C12H10FN3O and a molecular weight of 231.23 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine
PubChem CID83862369
Molecular FormulaC12H10FN3O
Molecular Weight231.23 g/mol
Exact Mass231.08
IUPAC Name2-(4-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccc(F)cc2)nc2c1COC2
InChIInChI=1S/C12H10FN3O/c13-8-3-1-7(2-4-8)12-15-10-6-17-5-9(10)11(14)16-12/h1-4H,5-6H2,(H2,14,15,16)
InChIKeyRMIPPGRTJHJGER-UHFFFAOYSA-N
XLogP1.90
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(4-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine (CID 83862369) is 2-(4-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(4-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine is Nc1nc(-c2ccc(F)cc2)nc2c1COC2.
What is the InChIKey of 2-(4-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine?
The InChIKey is RMIPPGRTJHJGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O/c13-8-3-1-7(2-4-8)12-15-10-6-17-5-9(10)11(14)16-12/h1-4H,5-6H2,(H2,14,15,16).
What are the key properties of 2-(4-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine?
2-(4-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine has a molecular weight of 231.23 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83862369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).