9-ethyl-N-[(4-methylphenyl)methyl]purin-6-amine

C15H17N5 — CID 163348607

IUPAC9-ethyl-N-[(4-methylphenyl)methyl]purin-6-amine
SMILESCCn1cnc2c(NCc3ccc(C)cc3)ncnc21
InChIInChI=1S/C15H17N5/c1-3-20-10-19-13-14(17-9-18-15(13)20)16-8-12-6-4-11(2)5-7-12/h4-7,9-10H,3,8H2,1-2H3,(H,16,17,18)
InChIKeyHEDWNGUTYZLZKR-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.77
Rot. Bonds4

About 9-ethyl-N-[(4-methylphenyl)methyl]purin-6-amine

9-ethyl-N-[(4-methylphenyl)methyl]purin-6-amine (PubChem CID 163348607) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 9-ethyl-N-[(4-methylphenyl)methyl]purin-6-amine.

Molecular Properties

Compound Name9-ethyl-N-[(4-methylphenyl)methyl]purin-6-amine
PubChem CID163348607
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name9-ethyl-N-[(4-methylphenyl)methyl]purin-6-amine
SMILESCCn1cnc2c(NCc3ccc(C)cc3)ncnc21
InChIInChI=1S/C15H17N5/c1-3-20-10-19-13-14(17-9-18-15(13)20)16-8-12-6-4-11(2)5-7-12/h4-7,9-10H,3,8H2,1-2H3,(H,16,17,18)
InChIKeyHEDWNGUTYZLZKR-UHFFFAOYSA-N
XLogP2.77
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-N-[(4-methylphenyl)methyl]purin-6-amine?
The IUPAC name of 9-ethyl-N-[(4-methylphenyl)methyl]purin-6-amine (CID 163348607) is 9-ethyl-N-[(4-methylphenyl)methyl]purin-6-amine.
What is the SMILES notation for 9-ethyl-N-[(4-methylphenyl)methyl]purin-6-amine?
The canonical SMILES for 9-ethyl-N-[(4-methylphenyl)methyl]purin-6-amine is CCn1cnc2c(NCc3ccc(C)cc3)ncnc21.
What is the InChIKey of 9-ethyl-N-[(4-methylphenyl)methyl]purin-6-amine?
The InChIKey is HEDWNGUTYZLZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-3-20-10-19-13-14(17-9-18-15(13)20)16-8-12-6-4-11(2)5-7-12/h4-7,9-10H,3,8H2,1-2H3,(H,16,17,18).
What are the key properties of 9-ethyl-N-[(4-methylphenyl)methyl]purin-6-amine?
9-ethyl-N-[(4-methylphenyl)methyl]purin-6-amine has a molecular weight of 267.34 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-N-[(4-methylphenyl)methyl]purin-6-amine is sourced from PubChem (CID 163348607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).