N-cyclopentyl-9-methyl-8-(2-methylphenyl)purin-6-amine

C18H21N5 — CID 11609235

IUPACN-cyclopentyl-9-methyl-8-(2-methylphenyl)purin-6-amine
SMILESCc1ccccc1-c1nc2c(NC3CCCC3)ncnc2n1C
InChIInChI=1S/C18H21N5/c1-12-7-3-6-10-14(12)17-22-15-16(21-13-8-4-5-9-13)19-11-20-18(15)23(17)2/h3,6-7,10-11,13H,4-5,8-9H2,1-2H3,(H,19,20,21)
InChIKeyBUXIPHBGFLYLHZ-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.69
Rot. Bonds3

About N-cyclopentyl-9-methyl-8-(2-methylphenyl)purin-6-amine

N-cyclopentyl-9-methyl-8-(2-methylphenyl)purin-6-amine (PubChem CID 11609235) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is N-cyclopentyl-9-methyl-8-(2-methylphenyl)purin-6-amine.

Molecular Properties

Compound NameN-cyclopentyl-9-methyl-8-(2-methylphenyl)purin-6-amine
PubChem CID11609235
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC NameN-cyclopentyl-9-methyl-8-(2-methylphenyl)purin-6-amine
SMILESCc1ccccc1-c1nc2c(NC3CCCC3)ncnc2n1C
InChIInChI=1S/C18H21N5/c1-12-7-3-6-10-14(12)17-22-15-16(21-13-8-4-5-9-13)19-11-20-18(15)23(17)2/h3,6-7,10-11,13H,4-5,8-9H2,1-2H3,(H,19,20,21)
InChIKeyBUXIPHBGFLYLHZ-UHFFFAOYSA-N
XLogP3.69
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-9-methyl-8-(2-methylphenyl)purin-6-amine?
The IUPAC name of N-cyclopentyl-9-methyl-8-(2-methylphenyl)purin-6-amine (CID 11609235) is N-cyclopentyl-9-methyl-8-(2-methylphenyl)purin-6-amine.
What is the SMILES notation for N-cyclopentyl-9-methyl-8-(2-methylphenyl)purin-6-amine?
The canonical SMILES for N-cyclopentyl-9-methyl-8-(2-methylphenyl)purin-6-amine is Cc1ccccc1-c1nc2c(NC3CCCC3)ncnc2n1C.
What is the InChIKey of N-cyclopentyl-9-methyl-8-(2-methylphenyl)purin-6-amine?
The InChIKey is BUXIPHBGFLYLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-12-7-3-6-10-14(12)17-22-15-16(21-13-8-4-5-9-13)19-11-20-18(15)23(17)2/h3,6-7,10-11,13H,4-5,8-9H2,1-2H3,(H,19,20,21).
What are the key properties of N-cyclopentyl-9-methyl-8-(2-methylphenyl)purin-6-amine?
N-cyclopentyl-9-methyl-8-(2-methylphenyl)purin-6-amine has a molecular weight of 307.40 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-9-methyl-8-(2-methylphenyl)purin-6-amine is sourced from PubChem (CID 11609235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).