9-(1H-indol-7-ylmethyl)-2-methylpurin-6-amine

C15H14N6 — CID 129244073

IUPAC9-(1H-indol-7-ylmethyl)-2-methylpurin-6-amine
SMILESCc1nc(N)c2ncn(Cc3cccc4cc[nH]c34)c2n1
InChIInChI=1S/C15H14N6/c1-9-19-14(16)13-15(20-9)21(8-18-13)7-11-4-2-3-10-5-6-17-12(10)11/h2-6,8,17H,7H2,1H3,(H2,16,19,20)
InChIKeyGMPYMPUULATPLO-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.25
Rot. Bonds2

About 9-(1H-indol-7-ylmethyl)-2-methylpurin-6-amine

9-(1H-indol-7-ylmethyl)-2-methylpurin-6-amine (PubChem CID 129244073) has the molecular formula C15H14N6 and a molecular weight of 278.32 g/mol. Its IUPAC name is 9-(1H-indol-7-ylmethyl)-2-methylpurin-6-amine.

Molecular Properties

Compound Name9-(1H-indol-7-ylmethyl)-2-methylpurin-6-amine
PubChem CID129244073
Molecular FormulaC15H14N6
Molecular Weight278.32 g/mol
Exact Mass278.13
IUPAC Name9-(1H-indol-7-ylmethyl)-2-methylpurin-6-amine
SMILESCc1nc(N)c2ncn(Cc3cccc4cc[nH]c34)c2n1
InChIInChI=1S/C15H14N6/c1-9-19-14(16)13-15(20-9)21(8-18-13)7-11-4-2-3-10-5-6-17-12(10)11/h2-6,8,17H,7H2,1H3,(H2,16,19,20)
InChIKeyGMPYMPUULATPLO-UHFFFAOYSA-N
XLogP2.25
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-9-[(3-methylpyrazin-2-yl)methyl]purin-6-amine
CID 155323723
9-[(2-fluoro-5-methoxyphenyl)methyl]-2-methylpurin-6-amine
CID 158360700
2-chloro-9-[(6-methyl-2-pyridinyl)methyl]purin-6-amine
CID 162676318
9-[(2-cyclopropylphenyl)methyl]purine-2,6-diamine
CID 167978863
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N'-(1H-indol-7-ylmethyl)oxamide
CID 166314384
9-[(2,6-difluorophenyl)methyl]purine-2,6-diamine
CID 54053692
9-[(3-propan-2-ylphenyl)methyl]purine-2,6-diamine
CID 154781600
9-benzyl-2-N-propylpurine-2,6-diamine
CID 18332707
4-[[4-(1H-indol-7-ylmethyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 77080763
9-[(8-methyl-2-phenylquinolin-3-yl)methyl]purin-6-amine
CID 67200292
7-(2,2-dimethylpropyl)-1H-indole
CID 69029945
9-benzyl-2-N-phenylpurine-2,6-diamine
CID 18332798

Frequently Asked Questions

What is the IUPAC name of 9-(1H-indol-7-ylmethyl)-2-methylpurin-6-amine?
The IUPAC name of 9-(1H-indol-7-ylmethyl)-2-methylpurin-6-amine (CID 129244073) is 9-(1H-indol-7-ylmethyl)-2-methylpurin-6-amine.
What is the SMILES notation for 9-(1H-indol-7-ylmethyl)-2-methylpurin-6-amine?
The canonical SMILES for 9-(1H-indol-7-ylmethyl)-2-methylpurin-6-amine is Cc1nc(N)c2ncn(Cc3cccc4cc[nH]c34)c2n1.
What is the InChIKey of 9-(1H-indol-7-ylmethyl)-2-methylpurin-6-amine?
The InChIKey is GMPYMPUULATPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6/c1-9-19-14(16)13-15(20-9)21(8-18-13)7-11-4-2-3-10-5-6-17-12(10)11/h2-6,8,17H,7H2,1H3,(H2,16,19,20).
What are the key properties of 9-(1H-indol-7-ylmethyl)-2-methylpurin-6-amine?
9-(1H-indol-7-ylmethyl)-2-methylpurin-6-amine has a molecular weight of 278.32 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1H-indol-7-ylmethyl)-2-methylpurin-6-amine is sourced from PubChem (CID 129244073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).