8-propyl-2-pyridin-4-yl-7H-purin-6-amine

C13H14N6 — CID 15131042

IUPAC8-propyl-2-pyridin-4-yl-7H-purin-6-amine
SMILESCCCc1nc2nc(-c3ccncc3)nc(N)c2[nH]1
InChIInChI=1S/C13H14N6/c1-2-3-9-16-10-11(14)18-12(19-13(10)17-9)8-4-6-15-7-5-8/h4-7H,2-3H2,1H3,(H3,14,16,17,18,19)
InChIKeyGBWYNHFPPBZCQG-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.95
Rot. Bonds3

About 8-propyl-2-pyridin-4-yl-7H-purin-6-amine

8-propyl-2-pyridin-4-yl-7H-purin-6-amine (PubChem CID 15131042) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 8-propyl-2-pyridin-4-yl-7H-purin-6-amine.

Molecular Properties

Compound Name8-propyl-2-pyridin-4-yl-7H-purin-6-amine
PubChem CID15131042
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name8-propyl-2-pyridin-4-yl-7H-purin-6-amine
SMILESCCCc1nc2nc(-c3ccncc3)nc(N)c2[nH]1
InChIInChI=1S/C13H14N6/c1-2-3-9-16-10-11(14)18-12(19-13(10)17-9)8-4-6-15-7-5-8/h4-7H,2-3H2,1H3,(H3,14,16,17,18,19)
InChIKeyGBWYNHFPPBZCQG-UHFFFAOYSA-N
XLogP1.95
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-propyl-2-pyridin-4-yl-7H-purin-6-amine?
The IUPAC name of 8-propyl-2-pyridin-4-yl-7H-purin-6-amine (CID 15131042) is 8-propyl-2-pyridin-4-yl-7H-purin-6-amine.
What is the SMILES notation for 8-propyl-2-pyridin-4-yl-7H-purin-6-amine?
The canonical SMILES for 8-propyl-2-pyridin-4-yl-7H-purin-6-amine is CCCc1nc2nc(-c3ccncc3)nc(N)c2[nH]1.
What is the InChIKey of 8-propyl-2-pyridin-4-yl-7H-purin-6-amine?
The InChIKey is GBWYNHFPPBZCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c1-2-3-9-16-10-11(14)18-12(19-13(10)17-9)8-4-6-15-7-5-8/h4-7H,2-3H2,1H3,(H3,14,16,17,18,19).
What are the key properties of 8-propyl-2-pyridin-4-yl-7H-purin-6-amine?
8-propyl-2-pyridin-4-yl-7H-purin-6-amine has a molecular weight of 254.30 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propyl-2-pyridin-4-yl-7H-purin-6-amine is sourced from PubChem (CID 15131042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).