6-N-(1-benzylpiperidin-4-yl)-2-N-pyrazin-2-yl-7H-purine-2,6-diamine

C21H23N9 — CID 117086660

IUPAC6-N-(1-benzylpiperidin-4-yl)-2-N-pyrazin-2-yl-7H-purine-2,6-diamine
SMILESc1ccc(CN2CCC(Nc3nc(Nc4cnccn4)nc4nc[nH]c34)CC2)cc1
InChIInChI=1S/C21H23N9/c1-2-4-15(5-3-1)13-30-10-6-16(7-11-30)26-20-18-19(25-14-24-18)28-21(29-20)27-17-12-22-8-9-23-17/h1-5,8-9,12,14,16H,6-7,10-11,13H2,(H3,23,24,25,26,27,28,29)
InChIKeyNXQDMBMIIJMHFA-UHFFFAOYSA-N
MW401.48 g/mol
LogP2.96
Rot. Bonds6

About 6-N-(1-benzylpiperidin-4-yl)-2-N-pyrazin-2-yl-7H-purine-2,6-diamine

6-N-(1-benzylpiperidin-4-yl)-2-N-pyrazin-2-yl-7H-purine-2,6-diamine (PubChem CID 117086660) has the molecular formula C21H23N9 and a molecular weight of 401.48 g/mol. Its IUPAC name is 6-N-(1-benzylpiperidin-4-yl)-2-N-pyrazin-2-yl-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-(1-benzylpiperidin-4-yl)-2-N-pyrazin-2-yl-7H-purine-2,6-diamine
PubChem CID117086660
Molecular FormulaC21H23N9
Molecular Weight401.48 g/mol
Exact Mass401.21
IUPAC Name6-N-(1-benzylpiperidin-4-yl)-2-N-pyrazin-2-yl-7H-purine-2,6-diamine
SMILESc1ccc(CN2CCC(Nc3nc(Nc4cnccn4)nc4nc[nH]c34)CC2)cc1
InChIInChI=1S/C21H23N9/c1-2-4-15(5-3-1)13-30-10-6-16(7-11-30)26-20-18-19(25-14-24-18)28-21(29-20)27-17-12-22-8-9-23-17/h1-5,8-9,12,14,16H,6-7,10-11,13H2,(H3,23,24,25,26,27,28,29)
InChIKeyNXQDMBMIIJMHFA-UHFFFAOYSA-N
XLogP2.96
TPSA107.54 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.48
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-N-(1-benzylpiperidin-4-yl)-2-N-pyrazin-2-yl-7H-purine-2,6-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-N-(1-benzylpiperidin-4-yl)-6-N-(2,2-diphenylethyl)-7H-purine-2,6-diamine
CID 141146919
[1-[6-[(1-benzylpiperidin-4-yl)amino]-7H-purin-2-yl]pyrrolidin-2-yl]methanol
CID 117094465
6-N-cyclopropyl-2-N-pyridin-4-yl-7H-purine-2,6-diamine
CID 25121463
6-N-cyclopropyl-2-N-quinolin-3-yl-7H-purine-2,6-diamine
CID 58774172
1-[[3-[[6-(methylamino)-7H-purin-2-yl]amino]phenyl]methyl]piperidine-4-carboxylic acid
CID 177165542
2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 117081882
4-[[4-[(1-benzylpiperidin-4-yl)amino]-5-methylpyrimidin-2-yl]amino]cyclohexan-1-ol
CID 117089717
1-benzyl-N-(1H-pyrazol-4-yl)piperidin-4-amine
CID 43540095
4-N-(1-benzylpiperidin-4-yl)-5-chloro-2-N-ethylpyrimidine-2,4-diamine
CID 113258960
2-N-(1-benzylpiperidin-4-yl)-4-N-cyclopentyl-6-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 134108561
6-N-cyclopentyl-2-N-[4-(1,2,5-diselenazepan-5-yl)phenyl]-7H-purine-2,6-diamine
CID 158553885
2-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methylphenyl]-6-N-(oxan-4-yl)-7H-purine-2,6-diamine
CID 69263762

Frequently Asked Questions

What is the IUPAC name of 6-N-(1-benzylpiperidin-4-yl)-2-N-pyrazin-2-yl-7H-purine-2,6-diamine?
The IUPAC name of 6-N-(1-benzylpiperidin-4-yl)-2-N-pyrazin-2-yl-7H-purine-2,6-diamine (CID 117086660) is 6-N-(1-benzylpiperidin-4-yl)-2-N-pyrazin-2-yl-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-(1-benzylpiperidin-4-yl)-2-N-pyrazin-2-yl-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-(1-benzylpiperidin-4-yl)-2-N-pyrazin-2-yl-7H-purine-2,6-diamine is c1ccc(CN2CCC(Nc3nc(Nc4cnccn4)nc4nc[nH]c34)CC2)cc1.
What is the InChIKey of 6-N-(1-benzylpiperidin-4-yl)-2-N-pyrazin-2-yl-7H-purine-2,6-diamine?
The InChIKey is NXQDMBMIIJMHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N9/c1-2-4-15(5-3-1)13-30-10-6-16(7-11-30)26-20-18-19(25-14-24-18)28-21(29-20)27-17-12-22-8-9-23-17/h1-5,8-9,12,14,16H,6-7,10-11,13H2,(H3,23,24,25,26,27,28,29).
What are the key properties of 6-N-(1-benzylpiperidin-4-yl)-2-N-pyrazin-2-yl-7H-purine-2,6-diamine?
6-N-(1-benzylpiperidin-4-yl)-2-N-pyrazin-2-yl-7H-purine-2,6-diamine has a molecular weight of 401.48 g/mol, XLogP of 2.96, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1-benzylpiperidin-4-yl)-2-N-pyrazin-2-yl-7H-purine-2,6-diamine is sourced from PubChem (CID 117086660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).