N-cyclopentyl-9-methyl-8-pyridin-3-ylpurin-6-amine

C16H18N6 — CID 11680901

IUPACN-cyclopentyl-9-methyl-8-pyridin-3-ylpurin-6-amine
SMILESCn1c(-c2cccnc2)nc2c(NC3CCCC3)ncnc21
InChIInChI=1S/C16H18N6/c1-22-15(11-5-4-8-17-9-11)21-13-14(18-10-19-16(13)22)20-12-6-2-3-7-12/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,18,19,20)
InChIKeyKDIBHOZUSSKCMY-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.78
Rot. Bonds3

About N-cyclopentyl-9-methyl-8-pyridin-3-ylpurin-6-amine

N-cyclopentyl-9-methyl-8-pyridin-3-ylpurin-6-amine (PubChem CID 11680901) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is N-cyclopentyl-9-methyl-8-pyridin-3-ylpurin-6-amine.

Molecular Properties

Compound NameN-cyclopentyl-9-methyl-8-pyridin-3-ylpurin-6-amine
PubChem CID11680901
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC NameN-cyclopentyl-9-methyl-8-pyridin-3-ylpurin-6-amine
SMILESCn1c(-c2cccnc2)nc2c(NC3CCCC3)ncnc21
InChIInChI=1S/C16H18N6/c1-22-15(11-5-4-8-17-9-11)21-13-14(18-10-19-16(13)22)20-12-6-2-3-7-12/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,18,19,20)
InChIKeyKDIBHOZUSSKCMY-UHFFFAOYSA-N
XLogP2.78
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclopentyl-9-methyl-8-pyridin-3-ylpurin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-9-methyl-8-pyridin-3-ylpurin-6-amine?
The IUPAC name of N-cyclopentyl-9-methyl-8-pyridin-3-ylpurin-6-amine (CID 11680901) is N-cyclopentyl-9-methyl-8-pyridin-3-ylpurin-6-amine.
What is the SMILES notation for N-cyclopentyl-9-methyl-8-pyridin-3-ylpurin-6-amine?
The canonical SMILES for N-cyclopentyl-9-methyl-8-pyridin-3-ylpurin-6-amine is Cn1c(-c2cccnc2)nc2c(NC3CCCC3)ncnc21.
What is the InChIKey of N-cyclopentyl-9-methyl-8-pyridin-3-ylpurin-6-amine?
The InChIKey is KDIBHOZUSSKCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6/c1-22-15(11-5-4-8-17-9-11)21-13-14(18-10-19-16(13)22)20-12-6-2-3-7-12/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,18,19,20).
What are the key properties of N-cyclopentyl-9-methyl-8-pyridin-3-ylpurin-6-amine?
N-cyclopentyl-9-methyl-8-pyridin-3-ylpurin-6-amine has a molecular weight of 294.36 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-9-methyl-8-pyridin-3-ylpurin-6-amine is sourced from PubChem (CID 11680901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).