(7R)-7-(2,5-difluorophenyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-8-amine

C15H13F2N5 — CID 70316853

IUPAC(7R)-7-(2,5-difluorophenyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-8-amine
SMILESNC1Cn2c(nc3cncnc32)C[C@@H]1c1cc(F)ccc1F
InChIInChI=1S/C15H13F2N5/c16-8-1-2-11(17)9(3-8)10-4-14-21-13-5-19-7-20-15(13)22(14)6-12(10)18/h1-3,5,7,10,12H,4,6,18H2/t10-,12?/m1/s1
InChIKeyBWUMBCYWJSHXAH-RWANSRKNSA-N
MW301.30 g/mol
LogP1.77
Rot. Bonds1

About (7R)-7-(2,5-difluorophenyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-8-amine

(7R)-7-(2,5-difluorophenyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-8-amine (PubChem CID 70316853) has the molecular formula C15H13F2N5 and a molecular weight of 301.30 g/mol. Its IUPAC name is (7R)-7-(2,5-difluorophenyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-8-amine.

Molecular Properties

Compound Name(7R)-7-(2,5-difluorophenyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-8-amine
PubChem CID70316853
Molecular FormulaC15H13F2N5
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name(7R)-7-(2,5-difluorophenyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-8-amine
SMILESNC1Cn2c(nc3cncnc32)C[C@@H]1c1cc(F)ccc1F
InChIInChI=1S/C15H13F2N5/c16-8-1-2-11(17)9(3-8)10-4-14-21-13-5-19-7-20-15(13)22(14)6-12(10)18/h1-3,5,7,10,12H,4,6,18H2/t10-,12?/m1/s1
InChIKeyBWUMBCYWJSHXAH-RWANSRKNSA-N
XLogP1.77
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-(2,5-difluorophenyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-8-amine?
The IUPAC name of (7R)-7-(2,5-difluorophenyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-8-amine (CID 70316853) is (7R)-7-(2,5-difluorophenyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-8-amine.
What is the SMILES notation for (7R)-7-(2,5-difluorophenyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-8-amine?
The canonical SMILES for (7R)-7-(2,5-difluorophenyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-8-amine is NC1Cn2c(nc3cncnc32)C[C@@H]1c1cc(F)ccc1F.
What is the InChIKey of (7R)-7-(2,5-difluorophenyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-8-amine?
The InChIKey is BWUMBCYWJSHXAH-RWANSRKNSA-N. The full InChI is InChI=1S/C15H13F2N5/c16-8-1-2-11(17)9(3-8)10-4-14-21-13-5-19-7-20-15(13)22(14)6-12(10)18/h1-3,5,7,10,12H,4,6,18H2/t10-,12?/m1/s1.
What are the key properties of (7R)-7-(2,5-difluorophenyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-8-amine?
(7R)-7-(2,5-difluorophenyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-8-amine has a molecular weight of 301.30 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(2,5-difluorophenyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-8-amine is sourced from PubChem (CID 70316853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).