2-chloro-N-(2-cyclobutylethyl)-7-[2-(4-methylcyclohexyl)ethyl]purin-6-amine

C20H30ClN5 — CID 90333410

IUPAC2-chloro-N-(2-cyclobutylethyl)-7-[2-(4-methylcyclohexyl)ethyl]purin-6-amine
SMILESCC1CCC(CCn2cnc3nc(Cl)nc(NCCC4CCC4)c32)CC1
InChIInChI=1S/C20H30ClN5/c1-14-5-7-16(8-6-14)10-12-26-13-23-19-17(26)18(24-20(21)25-19)22-11-9-15-3-2-4-15/h13-16H,2-12H2,1H3,(H,22,24,25)
InChIKeyWSOSUJZDNHGFTP-UHFFFAOYSA-N
MW375.95 g/mol
LogP5.30
Rot. Bonds7

About 2-chloro-N-(2-cyclobutylethyl)-7-[2-(4-methylcyclohexyl)ethyl]purin-6-amine

2-chloro-N-(2-cyclobutylethyl)-7-[2-(4-methylcyclohexyl)ethyl]purin-6-amine (PubChem CID 90333410) has the molecular formula C20H30ClN5 and a molecular weight of 375.95 g/mol. Its IUPAC name is 2-chloro-N-(2-cyclobutylethyl)-7-[2-(4-methylcyclohexyl)ethyl]purin-6-amine.

Molecular Properties

Compound Name2-chloro-N-(2-cyclobutylethyl)-7-[2-(4-methylcyclohexyl)ethyl]purin-6-amine
PubChem CID90333410
Molecular FormulaC20H30ClN5
Molecular Weight375.95 g/mol
Exact Mass375.22
IUPAC Name2-chloro-N-(2-cyclobutylethyl)-7-[2-(4-methylcyclohexyl)ethyl]purin-6-amine
SMILESCC1CCC(CCn2cnc3nc(Cl)nc(NCCC4CCC4)c32)CC1
InChIInChI=1S/C20H30ClN5/c1-14-5-7-16(8-6-14)10-12-26-13-23-19-17(26)18(24-20(21)25-19)22-11-9-15-3-2-4-15/h13-16H,2-12H2,1H3,(H,22,24,25)
InChIKeyWSOSUJZDNHGFTP-UHFFFAOYSA-N
XLogP5.30
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.95
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-(2-cyclobutylethyl)-7-[2-(4-methylcyclohexyl)ethyl]purin-6-amine with MolForge

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Related Compounds

6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)-ethyl]-9H-purine-2-carbonitrile
CID 5288616
2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(cyclopropylmethyl)-9H-purine-2,6-diamine
CID 10067698
N-Cyclohexyl-9-methyl-9H-purin-6-amine
CID 15693939
9-butyl-6-(hexylamino)-9H-purine-2-carbonitrile
CID 24778050
Cyclohexyl-(9-ethyl-9H-purin-6-yl)-amine
CID 15693949
N-0861 racemate
CID 9837708
6-Cyclohexylamino-9-cyclopentyl-purine-2-carbonitrile
CID 9883178
(2-Chloro-9-methyl-9H-purin-6-yl)-cyclopentyl-amine
CID 15693955
N 0861
CID 126615
6-(cyclohexylamino)-9-propyl-9H-purine-2-carbonitrile
CID 24776926
9-cyclohexyl-6-(cyclohexylamino)-9H-purine-2-carbonitrile
CID 24778049
9-(cyclohexylmethyl)-6-(hexylamino)-9H-purine-2-carbonitrile
CID 24778051

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyclobutylethyl)-7-[2-(4-methylcyclohexyl)ethyl]purin-6-amine?
The IUPAC name of 2-chloro-N-(2-cyclobutylethyl)-7-[2-(4-methylcyclohexyl)ethyl]purin-6-amine (CID 90333410) is 2-chloro-N-(2-cyclobutylethyl)-7-[2-(4-methylcyclohexyl)ethyl]purin-6-amine.
What is the SMILES notation for 2-chloro-N-(2-cyclobutylethyl)-7-[2-(4-methylcyclohexyl)ethyl]purin-6-amine?
The canonical SMILES for 2-chloro-N-(2-cyclobutylethyl)-7-[2-(4-methylcyclohexyl)ethyl]purin-6-amine is CC1CCC(CCn2cnc3nc(Cl)nc(NCCC4CCC4)c32)CC1.
What is the InChIKey of 2-chloro-N-(2-cyclobutylethyl)-7-[2-(4-methylcyclohexyl)ethyl]purin-6-amine?
The InChIKey is WSOSUJZDNHGFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN5/c1-14-5-7-16(8-6-14)10-12-26-13-23-19-17(26)18(24-20(21)25-19)22-11-9-15-3-2-4-15/h13-16H,2-12H2,1H3,(H,22,24,25).
What are the key properties of 2-chloro-N-(2-cyclobutylethyl)-7-[2-(4-methylcyclohexyl)ethyl]purin-6-amine?
2-chloro-N-(2-cyclobutylethyl)-7-[2-(4-methylcyclohexyl)ethyl]purin-6-amine has a molecular weight of 375.95 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-cyclobutylethyl)-7-[2-(4-methylcyclohexyl)ethyl]purin-6-amine is sourced from PubChem (CID 90333410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).