2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-(1H-isoindol-5-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine

C19H20N6O — CID 159168511

IUPAC2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-(1H-isoindol-5-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine
SMILESC1=NCc2ccc(Nc3nc(N4CC5CC4CN5)nc4c3COC4)cc21
InChIInChI=1S/C19H20N6O/c1-2-13(3-12-6-20-5-11(1)12)22-18-16-9-26-10-17(16)23-19(24-18)25-8-14-4-15(25)7-21-14/h1-3,6,14-15,21H,4-5,7-10H2,(H,22,23,24)
InChIKeyKLJOWXGCKHABOY-UHFFFAOYSA-N
MW348.41 g/mol
LogP1.73
Rot. Bonds3

About 2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-(1H-isoindol-5-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine

2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-(1H-isoindol-5-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine (PubChem CID 159168511) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-(1H-isoindol-5-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-(1H-isoindol-5-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine
PubChem CID159168511
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-(1H-isoindol-5-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine
SMILESC1=NCc2ccc(Nc3nc(N4CC5CC4CN5)nc4c3COC4)cc21
InChIInChI=1S/C19H20N6O/c1-2-13(3-12-6-20-5-11(1)12)22-18-16-9-26-10-17(16)23-19(24-18)25-8-14-4-15(25)7-21-14/h1-3,6,14-15,21H,4-5,7-10H2,(H,22,23,24)
InChIKeyKLJOWXGCKHABOY-UHFFFAOYSA-N
XLogP1.73
TPSA74.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-(1H-isoindol-5-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-(1H-isoindol-5-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine (CID 159168511) is 2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-(1H-isoindol-5-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-(1H-isoindol-5-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-(1H-isoindol-5-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine is C1=NCc2ccc(Nc3nc(N4CC5CC4CN5)nc4c3COC4)cc21.
What is the InChIKey of 2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-(1H-isoindol-5-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine?
The InChIKey is KLJOWXGCKHABOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-2-13(3-12-6-20-5-11(1)12)22-18-16-9-26-10-17(16)23-19(24-18)25-8-14-4-15(25)7-21-14/h1-3,6,14-15,21H,4-5,7-10H2,(H,22,23,24).
What are the key properties of 2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-(1H-isoindol-5-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine?
2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-(1H-isoindol-5-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine has a molecular weight of 348.41 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-(1H-isoindol-5-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 159168511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).