N-cyclopentyl-8-(4-methoxyphenyl)-9-methylpurin-6-amine

C18H21N5O — CID 11522670

IUPACN-cyclopentyl-8-(4-methoxyphenyl)-9-methylpurin-6-amine
SMILESCOc1ccc(-c2nc3c(NC4CCCC4)ncnc3n2C)cc1
InChIInChI=1S/C18H21N5O/c1-23-17(12-7-9-14(24-2)10-8-12)22-15-16(19-11-20-18(15)23)21-13-5-3-4-6-13/h7-11,13H,3-6H2,1-2H3,(H,19,20,21)
InChIKeyAREAFDXDOTXHCT-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.39
Rot. Bonds4

About N-cyclopentyl-8-(4-methoxyphenyl)-9-methylpurin-6-amine

N-cyclopentyl-8-(4-methoxyphenyl)-9-methylpurin-6-amine (PubChem CID 11522670) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-cyclopentyl-8-(4-methoxyphenyl)-9-methylpurin-6-amine.

Molecular Properties

Compound NameN-cyclopentyl-8-(4-methoxyphenyl)-9-methylpurin-6-amine
PubChem CID11522670
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-cyclopentyl-8-(4-methoxyphenyl)-9-methylpurin-6-amine
SMILESCOc1ccc(-c2nc3c(NC4CCCC4)ncnc3n2C)cc1
InChIInChI=1S/C18H21N5O/c1-23-17(12-7-9-14(24-2)10-8-12)22-15-16(19-11-20-18(15)23)21-13-5-3-4-6-13/h7-11,13H,3-6H2,1-2H3,(H,19,20,21)
InChIKeyAREAFDXDOTXHCT-UHFFFAOYSA-N
XLogP3.39
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Astemizole
CID 2247
7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
9-butyl-8-(3,4,5-trimethoxybenzyl)-9H-purin-6-amine
CID 448965
Olomoucine Ii
CID 5494414
N-(2-methoxybenzyl)-9H-purin-6-amine
CID 756722
2-(4-Methoxyphenyl)imidazo[1,2-a]pyridine
CID 694963
Pyrimido(1,2-a)benzimidazole, 1,4-dihydro-4-(4-methoxyphenyl)-2-methyl-
CID 3074967
2,4-Disubstituted Pyrimidine 2f
CID 5329419
2,4-Disubstituted Pyrimidine 2g
CID 5329420
6-(4-methoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538782
6-(4-methoxyphenyl)-7-propyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538784
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 36
CID 6538786

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-8-(4-methoxyphenyl)-9-methylpurin-6-amine?
The IUPAC name of N-cyclopentyl-8-(4-methoxyphenyl)-9-methylpurin-6-amine (CID 11522670) is N-cyclopentyl-8-(4-methoxyphenyl)-9-methylpurin-6-amine.
What is the SMILES notation for N-cyclopentyl-8-(4-methoxyphenyl)-9-methylpurin-6-amine?
The canonical SMILES for N-cyclopentyl-8-(4-methoxyphenyl)-9-methylpurin-6-amine is COc1ccc(-c2nc3c(NC4CCCC4)ncnc3n2C)cc1.
What is the InChIKey of N-cyclopentyl-8-(4-methoxyphenyl)-9-methylpurin-6-amine?
The InChIKey is AREAFDXDOTXHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-23-17(12-7-9-14(24-2)10-8-12)22-15-16(19-11-20-18(15)23)21-13-5-3-4-6-13/h7-11,13H,3-6H2,1-2H3,(H,19,20,21).
What are the key properties of N-cyclopentyl-8-(4-methoxyphenyl)-9-methylpurin-6-amine?
N-cyclopentyl-8-(4-methoxyphenyl)-9-methylpurin-6-amine has a molecular weight of 323.40 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-8-(4-methoxyphenyl)-9-methylpurin-6-amine is sourced from PubChem (CID 11522670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).