N-methyl-2-(2-phenylethyl)-7H-purin-6-amine

C14H15N5 — CID 10956074

IUPACN-methyl-2-(2-phenylethyl)-7H-purin-6-amine
SMILESCNc1nc(CCc2ccccc2)nc2nc[nH]c12
InChIInChI=1S/C14H15N5/c1-15-13-12-14(17-9-16-12)19-11(18-13)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,15,16,17,18,19)
InChIKeyLJQALFKNXWAZQS-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.18
Rot. Bonds4

About N-methyl-2-(2-phenylethyl)-7H-purin-6-amine

N-methyl-2-(2-phenylethyl)-7H-purin-6-amine (PubChem CID 10956074) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-methyl-2-(2-phenylethyl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-methyl-2-(2-phenylethyl)-7H-purin-6-amine
PubChem CID10956074
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC NameN-methyl-2-(2-phenylethyl)-7H-purin-6-amine
SMILESCNc1nc(CCc2ccccc2)nc2nc[nH]c12
InChIInChI=1S/C14H15N5/c1-15-13-12-14(17-9-16-12)19-11(18-13)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,15,16,17,18,19)
InChIKeyLJQALFKNXWAZQS-UHFFFAOYSA-N
XLogP2.18
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-phenylethyl)-7H-purin-6-amine?
The IUPAC name of N-methyl-2-(2-phenylethyl)-7H-purin-6-amine (CID 10956074) is N-methyl-2-(2-phenylethyl)-7H-purin-6-amine.
What is the SMILES notation for N-methyl-2-(2-phenylethyl)-7H-purin-6-amine?
The canonical SMILES for N-methyl-2-(2-phenylethyl)-7H-purin-6-amine is CNc1nc(CCc2ccccc2)nc2nc[nH]c12.
What is the InChIKey of N-methyl-2-(2-phenylethyl)-7H-purin-6-amine?
The InChIKey is LJQALFKNXWAZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-15-13-12-14(17-9-16-12)19-11(18-13)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,15,16,17,18,19).
What are the key properties of N-methyl-2-(2-phenylethyl)-7H-purin-6-amine?
N-methyl-2-(2-phenylethyl)-7H-purin-6-amine has a molecular weight of 253.31 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-phenylethyl)-7H-purin-6-amine is sourced from PubChem (CID 10956074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).