N-(2,4-difluorophenyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine

C15H13F2N5 — CID 20912616

IUPACN-(2,4-difluorophenyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine
SMILESFc1ccc(Nc2ncnc3c2nc2n3CCCC2)c(F)c1
InChIInChI=1S/C15H13F2N5/c16-9-4-5-11(10(17)7-9)20-14-13-15(19-8-18-14)22-6-2-1-3-12(22)21-13/h4-5,7-8H,1-3,6H2,(H,18,19,20)
InChIKeyLEZLPMGXFJFXJQ-UHFFFAOYSA-N
MW301.30 g/mol
LogP3.18
Rot. Bonds2

About N-(2,4-difluorophenyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine

N-(2,4-difluorophenyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine (PubChem CID 20912616) has the molecular formula C15H13F2N5 and a molecular weight of 301.30 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine
PubChem CID20912616
Molecular FormulaC15H13F2N5
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC NameN-(2,4-difluorophenyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine
SMILESFc1ccc(Nc2ncnc3c2nc2n3CCCC2)c(F)c1
InChIInChI=1S/C15H13F2N5/c16-9-4-5-11(10(17)7-9)20-14-13-15(19-8-18-14)22-6-2-1-3-12(22)21-13/h4-5,7-8H,1-3,6H2,(H,18,19,20)
InChIKeyLEZLPMGXFJFXJQ-UHFFFAOYSA-N
XLogP3.18
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine?
The IUPAC name of N-(2,4-difluorophenyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine (CID 20912616) is N-(2,4-difluorophenyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine.
What is the SMILES notation for N-(2,4-difluorophenyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine?
The canonical SMILES for N-(2,4-difluorophenyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine is Fc1ccc(Nc2ncnc3c2nc2n3CCCC2)c(F)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine?
The InChIKey is LEZLPMGXFJFXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N5/c16-9-4-5-11(10(17)7-9)20-14-13-15(19-8-18-14)22-6-2-1-3-12(22)21-13/h4-5,7-8H,1-3,6H2,(H,18,19,20).
What are the key properties of N-(2,4-difluorophenyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine?
N-(2,4-difluorophenyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine has a molecular weight of 301.30 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine is sourced from PubChem (CID 20912616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).