9-propan-2-yl-6-N-propyl-8-N-pyridin-3-ylpurine-6,8-diamine

C16H21N7 — CID 117089787

IUPAC9-propan-2-yl-6-N-propyl-8-N-pyridin-3-ylpurine-6,8-diamine
SMILESCCCNc1ncnc2c1nc(Nc1cccnc1)n2C(C)C
InChIInChI=1S/C16H21N7/c1-4-7-18-14-13-15(20-10-19-14)23(11(2)3)16(22-13)21-12-6-5-8-17-9-12/h5-6,8-11H,4,7H2,1-3H3,(H,21,22)(H,18,19,20)
InChIKeyONWQCHSROHRDAS-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.37
Rot. Bonds6

About 9-propan-2-yl-6-N-propyl-8-N-pyridin-3-ylpurine-6,8-diamine

9-propan-2-yl-6-N-propyl-8-N-pyridin-3-ylpurine-6,8-diamine (PubChem CID 117089787) has the molecular formula C16H21N7 and a molecular weight of 311.39 g/mol. Its IUPAC name is 9-propan-2-yl-6-N-propyl-8-N-pyridin-3-ylpurine-6,8-diamine.

Molecular Properties

Compound Name9-propan-2-yl-6-N-propyl-8-N-pyridin-3-ylpurine-6,8-diamine
PubChem CID117089787
Molecular FormulaC16H21N7
Molecular Weight311.39 g/mol
Exact Mass311.19
IUPAC Name9-propan-2-yl-6-N-propyl-8-N-pyridin-3-ylpurine-6,8-diamine
SMILESCCCNc1ncnc2c1nc(Nc1cccnc1)n2C(C)C
InChIInChI=1S/C16H21N7/c1-4-7-18-14-13-15(20-10-19-14)23(11(2)3)16(22-13)21-12-6-5-8-17-9-12/h5-6,8-11H,4,7H2,1-3H3,(H,21,22)(H,18,19,20)
InChIKeyONWQCHSROHRDAS-UHFFFAOYSA-N
XLogP3.37
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-N-[2-[di(propan-2-yl)amino]ethyl]-8-N-phenyl-9-propan-2-ylpurine-6,8-diamine
CID 117091762
6-N-benzyl-9-propan-2-yl-8-N-pyrimidin-2-ylpurine-6,8-diamine
CID 117078939
2-N-phenyl-9-propan-2-yl-8-N-pyridin-3-ylpurine-2,8-diamine
CID 155058890
8-N-phenyl-9-propan-2-yl-6-N-[[3-(trifluoromethyl)phenyl]methyl]purine-6,8-diamine
CID 117093011
9-propan-2-yl-N-propyl-8-(1,3,5-trimethylpyrazol-4-yl)purin-6-amine
CID 117090334
6-N-phenyl-9-propan-2-yl-8-N-(3,4,5-trimethoxyphenyl)purine-6,8-diamine
CID 117093754
8-N-phenyl-9-propan-2-yl-6-N-(3,4,5-trimethoxyphenyl)purine-6,8-diamine
CID 117092444
8-N-(4-morpholin-4-ylphenyl)-6-N-phenyl-9-propan-2-ylpurine-6,8-diamine
CID 117092748
N,8-diphenyl-9-propan-2-ylpurin-6-amine
CID 117092948
8-morpholin-4-yl-N-(2-phenoxyethyl)-9-propan-2-ylpurin-6-amine
CID 117085681
6-methoxy-4-N-propyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine
CID 117092308
N-phenyl-9-propan-2-yl-8-(4-pyridin-2-ylpiperazin-1-yl)purin-6-amine
CID 117082889

Frequently Asked Questions

What is the IUPAC name of 9-propan-2-yl-6-N-propyl-8-N-pyridin-3-ylpurine-6,8-diamine?
The IUPAC name of 9-propan-2-yl-6-N-propyl-8-N-pyridin-3-ylpurine-6,8-diamine (CID 117089787) is 9-propan-2-yl-6-N-propyl-8-N-pyridin-3-ylpurine-6,8-diamine.
What is the SMILES notation for 9-propan-2-yl-6-N-propyl-8-N-pyridin-3-ylpurine-6,8-diamine?
The canonical SMILES for 9-propan-2-yl-6-N-propyl-8-N-pyridin-3-ylpurine-6,8-diamine is CCCNc1ncnc2c1nc(Nc1cccnc1)n2C(C)C.
What is the InChIKey of 9-propan-2-yl-6-N-propyl-8-N-pyridin-3-ylpurine-6,8-diamine?
The InChIKey is ONWQCHSROHRDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7/c1-4-7-18-14-13-15(20-10-19-14)23(11(2)3)16(22-13)21-12-6-5-8-17-9-12/h5-6,8-11H,4,7H2,1-3H3,(H,21,22)(H,18,19,20).
What are the key properties of 9-propan-2-yl-6-N-propyl-8-N-pyridin-3-ylpurine-6,8-diamine?
9-propan-2-yl-6-N-propyl-8-N-pyridin-3-ylpurine-6,8-diamine has a molecular weight of 311.39 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propan-2-yl-6-N-propyl-8-N-pyridin-3-ylpurine-6,8-diamine is sourced from PubChem (CID 117089787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).