N-methyl-N-propyl-8-pyridin-3-ylpurin-9-amine

C14H16N6 — CID 68522171

IUPACN-methyl-N-propyl-8-pyridin-3-ylpurin-9-amine
SMILESCCCN(C)n1c(-c2cccnc2)nc2cncnc21
InChIInChI=1S/C14H16N6/c1-3-7-19(2)20-13(11-5-4-6-15-8-11)18-12-9-16-10-17-14(12)20/h4-6,8-10H,3,7H2,1-2H3
InChIKeyHLFWVQZUTASXAS-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.87
Rot. Bonds4

About N-methyl-N-propyl-8-pyridin-3-ylpurin-9-amine

N-methyl-N-propyl-8-pyridin-3-ylpurin-9-amine (PubChem CID 68522171) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-methyl-N-propyl-8-pyridin-3-ylpurin-9-amine.

Molecular Properties

Compound NameN-methyl-N-propyl-8-pyridin-3-ylpurin-9-amine
PubChem CID68522171
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC NameN-methyl-N-propyl-8-pyridin-3-ylpurin-9-amine
SMILESCCCN(C)n1c(-c2cccnc2)nc2cncnc21
InChIInChI=1S/C14H16N6/c1-3-7-19(2)20-13(11-5-4-6-15-8-11)18-12-9-16-10-17-14(12)20/h4-6,8-10H,3,7H2,1-2H3
InChIKeyHLFWVQZUTASXAS-UHFFFAOYSA-N
XLogP1.87
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propyl-8-pyridin-3-ylpurin-9-amine?
The IUPAC name of N-methyl-N-propyl-8-pyridin-3-ylpurin-9-amine (CID 68522171) is N-methyl-N-propyl-8-pyridin-3-ylpurin-9-amine.
What is the SMILES notation for N-methyl-N-propyl-8-pyridin-3-ylpurin-9-amine?
The canonical SMILES for N-methyl-N-propyl-8-pyridin-3-ylpurin-9-amine is CCCN(C)n1c(-c2cccnc2)nc2cncnc21.
What is the InChIKey of N-methyl-N-propyl-8-pyridin-3-ylpurin-9-amine?
The InChIKey is HLFWVQZUTASXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-3-7-19(2)20-13(11-5-4-6-15-8-11)18-12-9-16-10-17-14(12)20/h4-6,8-10H,3,7H2,1-2H3.
What are the key properties of N-methyl-N-propyl-8-pyridin-3-ylpurin-9-amine?
N-methyl-N-propyl-8-pyridin-3-ylpurin-9-amine has a molecular weight of 268.32 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propyl-8-pyridin-3-ylpurin-9-amine is sourced from PubChem (CID 68522171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).