2-(5-fluoro-1,3-dihydroisoindol-2-yl)-N-(1H-isoindol-5-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine

C22H18FN5O — CID 160936319

IUPAC2-(5-fluoro-1,3-dihydroisoindol-2-yl)-N-(1H-isoindol-5-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine
SMILESFc1ccc2c(c1)CN(c1nc3c(c(Nc4ccc5c(c4)C=NC5)n1)COC3)C2
InChIInChI=1S/C22H18FN5O/c23-17-3-1-14-9-28(10-16(14)5-17)22-26-20-12-29-11-19(20)21(27-22)25-18-4-2-13-7-24-8-15(13)6-18/h1-6,8H,7,9-12H2,(H,25,26,27)
InChIKeySTXQZODISDEXRL-UHFFFAOYSA-N
MW387.42 g/mol
LogP3.84
Rot. Bonds3

About 2-(5-fluoro-1,3-dihydroisoindol-2-yl)-N-(1H-isoindol-5-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine

2-(5-fluoro-1,3-dihydroisoindol-2-yl)-N-(1H-isoindol-5-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine (PubChem CID 160936319) has the molecular formula C22H18FN5O and a molecular weight of 387.42 g/mol. Its IUPAC name is 2-(5-fluoro-1,3-dihydroisoindol-2-yl)-N-(1H-isoindol-5-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-fluoro-1,3-dihydroisoindol-2-yl)-N-(1H-isoindol-5-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine
PubChem CID160936319
Molecular FormulaC22H18FN5O
Molecular Weight387.42 g/mol
Exact Mass387.15
IUPAC Name2-(5-fluoro-1,3-dihydroisoindol-2-yl)-N-(1H-isoindol-5-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine
SMILESFc1ccc2c(c1)CN(c1nc3c(c(Nc4ccc5c(c4)C=NC5)n1)COC3)C2
InChIInChI=1S/C22H18FN5O/c23-17-3-1-14-9-28(10-16(14)5-17)22-26-20-12-29-11-19(20)21(27-22)25-18-4-2-13-7-24-8-15(13)6-18/h1-6,8H,7,9-12H2,(H,25,26,27)
InChIKeySTXQZODISDEXRL-UHFFFAOYSA-N
XLogP3.84
TPSA62.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1,3-dihydroisoindol-2-yl)-N-(1H-isoindol-5-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(5-fluoro-1,3-dihydroisoindol-2-yl)-N-(1H-isoindol-5-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine (CID 160936319) is 2-(5-fluoro-1,3-dihydroisoindol-2-yl)-N-(1H-isoindol-5-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(5-fluoro-1,3-dihydroisoindol-2-yl)-N-(1H-isoindol-5-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(5-fluoro-1,3-dihydroisoindol-2-yl)-N-(1H-isoindol-5-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine is Fc1ccc2c(c1)CN(c1nc3c(c(Nc4ccc5c(c4)C=NC5)n1)COC3)C2.
What is the InChIKey of 2-(5-fluoro-1,3-dihydroisoindol-2-yl)-N-(1H-isoindol-5-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine?
The InChIKey is STXQZODISDEXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O/c23-17-3-1-14-9-28(10-16(14)5-17)22-26-20-12-29-11-19(20)21(27-22)25-18-4-2-13-7-24-8-15(13)6-18/h1-6,8H,7,9-12H2,(H,25,26,27).
What are the key properties of 2-(5-fluoro-1,3-dihydroisoindol-2-yl)-N-(1H-isoindol-5-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine?
2-(5-fluoro-1,3-dihydroisoindol-2-yl)-N-(1H-isoindol-5-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine has a molecular weight of 387.42 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1,3-dihydroisoindol-2-yl)-N-(1H-isoindol-5-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 160936319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).