9-[[2-(aminomethyl)-5-pyrimidin-5-yl-1H-indol-7-yl]methyl]purin-6-amine

C19H17N9 — CID 129244621

IUPAC9-[[2-(aminomethyl)-5-pyrimidin-5-yl-1H-indol-7-yl]methyl]purin-6-amine
SMILESNCc1cc2cc(-c3cncnc3)cc(Cn3cnc4c(N)ncnc43)c2[nH]1
InChIInChI=1S/C19H17N9/c20-4-15-3-12-1-11(14-5-22-8-23-6-14)2-13(16(12)27-15)7-28-10-26-17-18(21)24-9-25-19(17)28/h1-3,5-6,8-10,27H,4,7,20H2,(H2,21,24,25)
InChIKeyPJGAUYLSGINVEY-UHFFFAOYSA-N
MW371.41 g/mol
LogP1.85
Rot. Bonds4

About 9-[[2-(aminomethyl)-5-pyrimidin-5-yl-1H-indol-7-yl]methyl]purin-6-amine

9-[[2-(aminomethyl)-5-pyrimidin-5-yl-1H-indol-7-yl]methyl]purin-6-amine (PubChem CID 129244621) has the molecular formula C19H17N9 and a molecular weight of 371.41 g/mol. Its IUPAC name is 9-[[2-(aminomethyl)-5-pyrimidin-5-yl-1H-indol-7-yl]methyl]purin-6-amine.

Molecular Properties

Compound Name9-[[2-(aminomethyl)-5-pyrimidin-5-yl-1H-indol-7-yl]methyl]purin-6-amine
PubChem CID129244621
Molecular FormulaC19H17N9
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name9-[[2-(aminomethyl)-5-pyrimidin-5-yl-1H-indol-7-yl]methyl]purin-6-amine
SMILESNCc1cc2cc(-c3cncnc3)cc(Cn3cnc4c(N)ncnc43)c2[nH]1
InChIInChI=1S/C19H17N9/c20-4-15-3-12-1-11(14-5-22-8-23-6-14)2-13(16(12)27-15)7-28-10-26-17-18(21)24-9-25-19(17)28/h1-3,5-6,8-10,27H,4,7,20H2,(H2,21,24,25)
InChIKeyPJGAUYLSGINVEY-UHFFFAOYSA-N
XLogP1.85
TPSA137.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

9-[[2-(aminomethyl)-5-phenyl-1H-indol-7-yl]methyl]purin-6-amine
CID 129244413
9-[[2-(aminomethyl)-5-ethenyl-1H-indol-7-yl]methyl]purin-6-amine
CID 129244314
9-[[2-(aminomethyl)-4-ethyl-1H-indol-7-yl]methyl]purin-6-amine
CID 129244582
4-[2-(aminomethyl)-7-[(6-aminopurin-9-yl)methyl]-1H-indol-4-yl]benzonitrile
CID 129244366
9-[[2-(aminomethyl)-4-(2-fluorophenyl)-1H-indol-7-yl]methyl]purin-6-amine
CID 129244210
N-[[7-[(6-aminopurin-9-yl)methyl]-5-chloro-1H-indol-2-yl]methyl]butanamide
CID 129244077
1-[7-[(6-aminopurin-9-yl)methyl]-5-chloro-1H-indol-2-yl]ethanone
CID 129244342
9-[[5-chloro-2-[[(2-chloro-5-fluorophenyl)methylamino]methyl]-1H-indol-7-yl]methyl]purin-6-amine
CID 129244367
N-[[7-[(6-aminopurin-9-yl)methyl]-5-chloro-1H-indol-2-yl]methyl]-4-fluorobenzamide
CID 129243958
tert-butyl 2-[[7-[(6-aminopurin-9-yl)methyl]-5-chloro-1H-indol-2-yl]methylamino]acetate
CID 140791648
N-[[7-[(6-aminopurin-9-yl)methyl]-5-chloro-1H-indol-2-yl]methyl]-4-methylbenzamide
CID 129244563
N-[[7-[(6-aminopurin-9-yl)methyl]-5-(3-methoxyphenyl)-1H-indol-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 129244323

Frequently Asked Questions

What is the IUPAC name of 9-[[2-(aminomethyl)-5-pyrimidin-5-yl-1H-indol-7-yl]methyl]purin-6-amine?
The IUPAC name of 9-[[2-(aminomethyl)-5-pyrimidin-5-yl-1H-indol-7-yl]methyl]purin-6-amine (CID 129244621) is 9-[[2-(aminomethyl)-5-pyrimidin-5-yl-1H-indol-7-yl]methyl]purin-6-amine.
What is the SMILES notation for 9-[[2-(aminomethyl)-5-pyrimidin-5-yl-1H-indol-7-yl]methyl]purin-6-amine?
The canonical SMILES for 9-[[2-(aminomethyl)-5-pyrimidin-5-yl-1H-indol-7-yl]methyl]purin-6-amine is NCc1cc2cc(-c3cncnc3)cc(Cn3cnc4c(N)ncnc43)c2[nH]1.
What is the InChIKey of 9-[[2-(aminomethyl)-5-pyrimidin-5-yl-1H-indol-7-yl]methyl]purin-6-amine?
The InChIKey is PJGAUYLSGINVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N9/c20-4-15-3-12-1-11(14-5-22-8-23-6-14)2-13(16(12)27-15)7-28-10-26-17-18(21)24-9-25-19(17)28/h1-3,5-6,8-10,27H,4,7,20H2,(H2,21,24,25).
What are the key properties of 9-[[2-(aminomethyl)-5-pyrimidin-5-yl-1H-indol-7-yl]methyl]purin-6-amine?
9-[[2-(aminomethyl)-5-pyrimidin-5-yl-1H-indol-7-yl]methyl]purin-6-amine has a molecular weight of 371.41 g/mol, XLogP of 1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[2-(aminomethyl)-5-pyrimidin-5-yl-1H-indol-7-yl]methyl]purin-6-amine is sourced from PubChem (CID 129244621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).