6-methylpurin-6-amine;1H-pyrrolo[2,3-b]pyridine

C13H13N7 — CID 161406896

IUPAC6-methylpurin-6-amine;1H-pyrrolo[2,3-b]pyridine
SMILESCC1(N)N=CN=C2N=CN=C21.c1cnc2[nH]ccc2c1
InChIInChI=1S/C7H6N2.C6H7N5/c1-2-6-3-5-9-7(6)8-4-1;1-6(7)4-5(9-2-8-4)10-3-11-6/h1-5H,(H,8,9);2-3H,7H2,1H3
InChIKeyVUYPWANOYHKXQY-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.15
Rot. Bonds

About 6-methylpurin-6-amine;1H-pyrrolo[2,3-b]pyridine

6-methylpurin-6-amine;1H-pyrrolo[2,3-b]pyridine (PubChem CID 161406896) has the molecular formula C13H13N7 and a molecular weight of 267.30 g/mol. Its IUPAC name is 6-methylpurin-6-amine;1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name6-methylpurin-6-amine;1H-pyrrolo[2,3-b]pyridine
PubChem CID161406896
Molecular FormulaC13H13N7
Molecular Weight267.30 g/mol
Exact Mass267.12
IUPAC Name6-methylpurin-6-amine;1H-pyrrolo[2,3-b]pyridine
SMILESCC1(N)N=CN=C2N=CN=C21.c1cnc2[nH]ccc2c1
InChIInChI=1S/C7H6N2.C6H7N5/c1-2-6-3-5-9-7(6)8-4-1;1-6(7)4-5(9-2-8-4)10-3-11-6/h1-5H,(H,8,9);2-3H,7H2,1H3
InChIKeyVUYPWANOYHKXQY-UHFFFAOYSA-N
XLogP1.15
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methanethiol;1H-pyrrolo[2,3-b]pyridine
CID 145094604
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CID 67326610
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CID 163390123
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3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine
CID 123600339
N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinolin-6-amine
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CID 87584548

Frequently Asked Questions

What is the IUPAC name of 6-methylpurin-6-amine;1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 6-methylpurin-6-amine;1H-pyrrolo[2,3-b]pyridine (CID 161406896) is 6-methylpurin-6-amine;1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 6-methylpurin-6-amine;1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 6-methylpurin-6-amine;1H-pyrrolo[2,3-b]pyridine is CC1(N)N=CN=C2N=CN=C21.c1cnc2[nH]ccc2c1.
What is the InChIKey of 6-methylpurin-6-amine;1H-pyrrolo[2,3-b]pyridine?
The InChIKey is VUYPWANOYHKXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2.C6H7N5/c1-2-6-3-5-9-7(6)8-4-1;1-6(7)4-5(9-2-8-4)10-3-11-6/h1-5H,(H,8,9);2-3H,7H2,1H3.
What are the key properties of 6-methylpurin-6-amine;1H-pyrrolo[2,3-b]pyridine?
6-methylpurin-6-amine;1H-pyrrolo[2,3-b]pyridine has a molecular weight of 267.30 g/mol, XLogP of 1.15, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylpurin-6-amine;1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 161406896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).