9-phenyl-6-N-(pyridin-3-ylmethyl)-2-N-pyrimidin-2-ylpurine-2,6-diamine

C21H17N9 — CID 117080067

IUPAC9-phenyl-6-N-(pyridin-3-ylmethyl)-2-N-pyrimidin-2-ylpurine-2,6-diamine
SMILESc1ccc(-n2cnc3c(NCc4cccnc4)nc(Nc4ncccn4)nc32)cc1
InChIInChI=1S/C21H17N9/c1-2-7-16(8-3-1)30-14-26-17-18(25-13-15-6-4-9-22-12-15)27-21(28-19(17)30)29-20-23-10-5-11-24-20/h1-12,14H,13H2,(H2,23,24,25,27,28,29)
InChIKeyAMYJEIWACRXACV-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.36
Rot. Bonds6

About 9-phenyl-6-N-(pyridin-3-ylmethyl)-2-N-pyrimidin-2-ylpurine-2,6-diamine

9-phenyl-6-N-(pyridin-3-ylmethyl)-2-N-pyrimidin-2-ylpurine-2,6-diamine (PubChem CID 117080067) has the molecular formula C21H17N9 and a molecular weight of 395.43 g/mol. Its IUPAC name is 9-phenyl-6-N-(pyridin-3-ylmethyl)-2-N-pyrimidin-2-ylpurine-2,6-diamine.

Molecular Properties

Compound Name9-phenyl-6-N-(pyridin-3-ylmethyl)-2-N-pyrimidin-2-ylpurine-2,6-diamine
PubChem CID117080067
Molecular FormulaC21H17N9
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name9-phenyl-6-N-(pyridin-3-ylmethyl)-2-N-pyrimidin-2-ylpurine-2,6-diamine
SMILESc1ccc(-n2cnc3c(NCc4cccnc4)nc(Nc4ncccn4)nc32)cc1
InChIInChI=1S/C21H17N9/c1-2-7-16(8-3-1)30-14-26-17-18(25-13-15-6-4-9-22-12-15)27-21(28-19(17)30)29-20-23-10-5-11-24-20/h1-12,14H,13H2,(H2,23,24,25,27,28,29)
InChIKeyAMYJEIWACRXACV-UHFFFAOYSA-N
XLogP3.36
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

6-N-benzyl-9-phenyl-2-N-pyridin-3-ylpurine-2,6-diamine
CID 117083688
9-phenyl-6-N-propyl-2-N-pyrimidin-2-ylpurine-2,6-diamine
CID 117080414
2-(1-benzothiophen-3-yl)-9-phenyl-N-(pyridin-3-ylmethyl)purin-6-amine
CID 117091216
6-N-benzyl-2-N-ethyl-9-phenylpurine-2,6-diamine
CID 117091533
1-[3-[[9-phenyl-2-(pyridin-3-ylmethylamino)purin-6-yl]amino]propyl]pyrrolidin-2-one
CID 117092103
9-phenyl-2-N-quinolin-6-yl-6-N-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-diamine
CID 117086378
6-N-cyclopropyl-9-phenyl-2-N-pyrimidin-2-ylpurine-2,6-diamine
CID 117078892
6-N-(1H-benzimidazol-2-ylmethyl)-2-N-(pyridin-3-ylmethyl)-9-thiophen-3-ylpurine-2,6-diamine
CID 117089901
2-N-isoquinolin-1-yl-9-phenyl-6-N-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-diamine
CID 117089309
9-propan-2-yl-6-N-(pyridin-3-ylmethyl)-2-N-quinolin-6-ylpurine-2,6-diamine
CID 117084811
N-(pyridin-3-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-9-thiophen-3-ylpurin-6-amine
CID 117083214
2-N-(pyridin-3-ylmethyl)-9-thiophen-3-yl-6-N-(3,4,5-trimethoxyphenyl)purine-2,6-diamine
CID 117079553

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-6-N-(pyridin-3-ylmethyl)-2-N-pyrimidin-2-ylpurine-2,6-diamine?
The IUPAC name of 9-phenyl-6-N-(pyridin-3-ylmethyl)-2-N-pyrimidin-2-ylpurine-2,6-diamine (CID 117080067) is 9-phenyl-6-N-(pyridin-3-ylmethyl)-2-N-pyrimidin-2-ylpurine-2,6-diamine.
What is the SMILES notation for 9-phenyl-6-N-(pyridin-3-ylmethyl)-2-N-pyrimidin-2-ylpurine-2,6-diamine?
The canonical SMILES for 9-phenyl-6-N-(pyridin-3-ylmethyl)-2-N-pyrimidin-2-ylpurine-2,6-diamine is c1ccc(-n2cnc3c(NCc4cccnc4)nc(Nc4ncccn4)nc32)cc1.
What is the InChIKey of 9-phenyl-6-N-(pyridin-3-ylmethyl)-2-N-pyrimidin-2-ylpurine-2,6-diamine?
The InChIKey is AMYJEIWACRXACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N9/c1-2-7-16(8-3-1)30-14-26-17-18(25-13-15-6-4-9-22-12-15)27-21(28-19(17)30)29-20-23-10-5-11-24-20/h1-12,14H,13H2,(H2,23,24,25,27,28,29).
What are the key properties of 9-phenyl-6-N-(pyridin-3-ylmethyl)-2-N-pyrimidin-2-ylpurine-2,6-diamine?
9-phenyl-6-N-(pyridin-3-ylmethyl)-2-N-pyrimidin-2-ylpurine-2,6-diamine has a molecular weight of 395.43 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-6-N-(pyridin-3-ylmethyl)-2-N-pyrimidin-2-ylpurine-2,6-diamine is sourced from PubChem (CID 117080067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).