N-[(1-pyridin-2-ylindolizin-2-yl)methyl]-7H-purin-6-amine

C19H15N7 — CID 118573001

IUPACN-[(1-pyridin-2-ylindolizin-2-yl)methyl]-7H-purin-6-amine
SMILESc1ccc(-c2c(CNc3ncnc4nc[nH]c34)cn3ccccc23)nc1
InChIInChI=1S/C19H15N7/c1-3-7-20-14(5-1)16-13(10-26-8-4-2-6-15(16)26)9-21-18-17-19(23-11-22-17)25-12-24-18/h1-8,10-12H,9H2,(H2,21,22,23,24,25)
InChIKeyDWSKLBXLASTSJQ-UHFFFAOYSA-N
MW341.38 g/mol
LogP3.28
Rot. Bonds4

About N-[(1-pyridin-2-ylindolizin-2-yl)methyl]-7H-purin-6-amine

N-[(1-pyridin-2-ylindolizin-2-yl)methyl]-7H-purin-6-amine (PubChem CID 118573001) has the molecular formula C19H15N7 and a molecular weight of 341.38 g/mol. Its IUPAC name is N-[(1-pyridin-2-ylindolizin-2-yl)methyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(1-pyridin-2-ylindolizin-2-yl)methyl]-7H-purin-6-amine
PubChem CID118573001
Molecular FormulaC19H15N7
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC NameN-[(1-pyridin-2-ylindolizin-2-yl)methyl]-7H-purin-6-amine
SMILESc1ccc(-c2c(CNc3ncnc4nc[nH]c34)cn3ccccc23)nc1
InChIInChI=1S/C19H15N7/c1-3-7-20-14(5-1)16-13(10-26-8-4-2-6-15(16)26)9-21-18-17-19(23-11-22-17)25-12-24-18/h1-8,10-12H,9H2,(H2,21,22,23,24,25)
InChIKeyDWSKLBXLASTSJQ-UHFFFAOYSA-N
XLogP3.28
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-pyridin-2-ylindolizin-2-yl)methyl]-7H-purin-6-amine?
The IUPAC name of N-[(1-pyridin-2-ylindolizin-2-yl)methyl]-7H-purin-6-amine (CID 118573001) is N-[(1-pyridin-2-ylindolizin-2-yl)methyl]-7H-purin-6-amine.
What is the SMILES notation for N-[(1-pyridin-2-ylindolizin-2-yl)methyl]-7H-purin-6-amine?
The canonical SMILES for N-[(1-pyridin-2-ylindolizin-2-yl)methyl]-7H-purin-6-amine is c1ccc(-c2c(CNc3ncnc4nc[nH]c34)cn3ccccc23)nc1.
What is the InChIKey of N-[(1-pyridin-2-ylindolizin-2-yl)methyl]-7H-purin-6-amine?
The InChIKey is DWSKLBXLASTSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N7/c1-3-7-20-14(5-1)16-13(10-26-8-4-2-6-15(16)26)9-21-18-17-19(23-11-22-17)25-12-24-18/h1-8,10-12H,9H2,(H2,21,22,23,24,25).
What are the key properties of N-[(1-pyridin-2-ylindolizin-2-yl)methyl]-7H-purin-6-amine?
N-[(1-pyridin-2-ylindolizin-2-yl)methyl]-7H-purin-6-amine has a molecular weight of 341.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pyridin-2-ylindolizin-2-yl)methyl]-7H-purin-6-amine is sourced from PubChem (CID 118573001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).