9-propan-2-yl-N-pyrazin-2-yl-2-(pyrazin-2-ylmethyl)purin-6-amine

C17H17N9 — CID 71720388

IUPAC9-propan-2-yl-N-pyrazin-2-yl-2-(pyrazin-2-ylmethyl)purin-6-amine
SMILESCC(C)n1cnc2c(Nc3cnccn3)nc(Cc3cnccn3)nc21
InChIInChI=1S/C17H17N9/c1-11(2)26-10-22-15-16(24-14-9-19-4-6-21-14)23-13(25-17(15)26)7-12-8-18-3-5-20-12/h3-6,8-11H,7H2,1-2H3,(H,21,23,24,25)
InChIKeyVOGHSHGSWKPYDL-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.32
Rot. Bonds5

About 9-propan-2-yl-N-pyrazin-2-yl-2-(pyrazin-2-ylmethyl)purin-6-amine

9-propan-2-yl-N-pyrazin-2-yl-2-(pyrazin-2-ylmethyl)purin-6-amine (PubChem CID 71720388) has the molecular formula C17H17N9 and a molecular weight of 347.39 g/mol. Its IUPAC name is 9-propan-2-yl-N-pyrazin-2-yl-2-(pyrazin-2-ylmethyl)purin-6-amine.

Molecular Properties

Compound Name9-propan-2-yl-N-pyrazin-2-yl-2-(pyrazin-2-ylmethyl)purin-6-amine
PubChem CID71720388
Molecular FormulaC17H17N9
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC Name9-propan-2-yl-N-pyrazin-2-yl-2-(pyrazin-2-ylmethyl)purin-6-amine
SMILESCC(C)n1cnc2c(Nc3cnccn3)nc(Cc3cnccn3)nc21
InChIInChI=1S/C17H17N9/c1-11(2)26-10-22-15-16(24-14-9-19-4-6-21-14)23-13(25-17(15)26)7-12-8-18-3-5-20-12/h3-6,8-11H,7H2,1-2H3,(H,21,23,24,25)
InChIKeyVOGHSHGSWKPYDL-UHFFFAOYSA-N
XLogP2.32
TPSA107.19 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N2-[(1S)-1-(5-Fluoropyrimidin-2-yl)ethyl]-N4-(1-methyl-1H-imidazol-4-yl)pteridine-2,4-diamine
CID 68254533
2-chloro-9-propan-2-yl-N-pyrimidin-5-ylpurin-6-amine
CID 71517520
9-propan-2-yl-2-N,6-N-di(pyrimidin-5-yl)purine-2,6-diamine
CID 71518533
2-chloro-9-propan-2-yl-N-pyrimidin-2-ylpurin-6-amine
CID 71517518
2-chloro-9-propan-2-yl-N-pyrimidin-4-ylpurin-6-amine
CID 71517519
2-chloro-9-propan-2-yl-N-pyrazin-2-ylpurin-6-amine
CID 71517683
9H-Purine, 9-methyl-2-(4-(2-pyrimidinyl)-1-piperazinyl)-
CID 212786
9H-Purine, 2-(4-(2-pyrimidinyl)-1-piperazinyl)-, hydrate
CID 3057802
N'-[6-[2-(1,3-dimethylimidazol-1-ium-4-yl)ethylamino]-3,7-dimethylpurin-3-ium-2-yl]-N,N-dimethylmethanimidamide
CID 177641880
6-N-[2-(1,3-dimethylimidazol-1-ium-4-yl)ethyl]-2-N,2-N,7,9-tetramethylpurin-9-ium-2,6-diamine
CID 177644172
(3S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-pyrimidin-4-ylpiperidin-3-amine
CID 171359505
2-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine
CID 3057803

Frequently Asked Questions

What is the IUPAC name of 9-propan-2-yl-N-pyrazin-2-yl-2-(pyrazin-2-ylmethyl)purin-6-amine?
The IUPAC name of 9-propan-2-yl-N-pyrazin-2-yl-2-(pyrazin-2-ylmethyl)purin-6-amine (CID 71720388) is 9-propan-2-yl-N-pyrazin-2-yl-2-(pyrazin-2-ylmethyl)purin-6-amine.
What is the SMILES notation for 9-propan-2-yl-N-pyrazin-2-yl-2-(pyrazin-2-ylmethyl)purin-6-amine?
The canonical SMILES for 9-propan-2-yl-N-pyrazin-2-yl-2-(pyrazin-2-ylmethyl)purin-6-amine is CC(C)n1cnc2c(Nc3cnccn3)nc(Cc3cnccn3)nc21.
What is the InChIKey of 9-propan-2-yl-N-pyrazin-2-yl-2-(pyrazin-2-ylmethyl)purin-6-amine?
The InChIKey is VOGHSHGSWKPYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N9/c1-11(2)26-10-22-15-16(24-14-9-19-4-6-21-14)23-13(25-17(15)26)7-12-8-18-3-5-20-12/h3-6,8-11H,7H2,1-2H3,(H,21,23,24,25).
What are the key properties of 9-propan-2-yl-N-pyrazin-2-yl-2-(pyrazin-2-ylmethyl)purin-6-amine?
9-propan-2-yl-N-pyrazin-2-yl-2-(pyrazin-2-ylmethyl)purin-6-amine has a molecular weight of 347.39 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propan-2-yl-N-pyrazin-2-yl-2-(pyrazin-2-ylmethyl)purin-6-amine is sourced from PubChem (CID 71720388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).