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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Related Compounds

N-methyl-2-(3-phenylpropyl)-7H-purin-6-amine
CID 11747563
N-methyl-2-(methylaminomethyl)-7H-purin-6-amine
CID 59881619
2-benzyl-N-tert-butyl-7H-purin-6-amine
CID 23106936
2-(aminomethyl)-N-(2-phenylethyl)-7H-purin-6-amine
CID 142654616
2-[6-(benzylamino)-7H-purin-2-yl]ethanol
CID 141447659
2-[(2,6-dichlorophenyl)methyl]-N-methyl-7H-purin-6-amine
CID 154249196
5-iodo-N,6-dimethyl-2-(2-phenylethyl)pyrimidin-4-amine
CID 66306895
N-methyl-6-(3-phenylpropoxy)-7H-purin-2-amine
CID 114787552
2-benzyl-7H-purin-6-amine
CID 15986830
5-bromo-N,6-dimethyl-2-(2-phenylethyl)pyrimidin-4-amine
CID 66305262
N-benzyl-2-hydrazinyl-7H-purin-6-amine
CID 131856143
6-N-methyl-6-N-(2-phenylethyl)-7H-purine-2,6-diamine
CID 44776717

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).