2-chloro-N-[(1R)-1-cyclobutylethyl]-7-[1-(4-methylcyclohexyl)ethyl]purin-6-amine

C20H30ClN5 — CID 90318024

IUPAC2-chloro-N-[(1R)-1-cyclobutylethyl]-7-[1-(4-methylcyclohexyl)ethyl]purin-6-amine
SMILESCC1CCC(C(C)n2cnc3nc(Cl)nc(N[C@H](C)C4CCC4)c32)CC1
InChIInChI=1S/C20H30ClN5/c1-12-7-9-16(10-8-12)14(3)26-11-22-18-17(26)19(25-20(21)24-18)23-13(2)15-5-4-6-15/h11-16H,4-10H2,1-3H3,(H,23,24,25)/t12?,13-,14?,16?/m1/s1
InChIKeyDFPGEPCZFJBWAF-YRUXVQORSA-N
MW375.95 g/mol
LogP5.47
Rot. Bonds5

About 2-chloro-N-[(1R)-1-cyclobutylethyl]-7-[1-(4-methylcyclohexyl)ethyl]purin-6-amine

2-chloro-N-[(1R)-1-cyclobutylethyl]-7-[1-(4-methylcyclohexyl)ethyl]purin-6-amine (PubChem CID 90318024) has the molecular formula C20H30ClN5 and a molecular weight of 375.95 g/mol. Its IUPAC name is 2-chloro-N-[(1R)-1-cyclobutylethyl]-7-[1-(4-methylcyclohexyl)ethyl]purin-6-amine.

Molecular Properties

Compound Name2-chloro-N-[(1R)-1-cyclobutylethyl]-7-[1-(4-methylcyclohexyl)ethyl]purin-6-amine
PubChem CID90318024
Molecular FormulaC20H30ClN5
Molecular Weight375.95 g/mol
Exact Mass375.22
IUPAC Name2-chloro-N-[(1R)-1-cyclobutylethyl]-7-[1-(4-methylcyclohexyl)ethyl]purin-6-amine
SMILESCC1CCC(C(C)n2cnc3nc(Cl)nc(N[C@H](C)C4CCC4)c32)CC1
InChIInChI=1S/C20H30ClN5/c1-12-7-9-16(10-8-12)14(3)26-11-22-18-17(26)19(25-20(21)24-18)23-13(2)15-5-4-6-15/h11-16H,4-10H2,1-3H3,(H,23,24,25)/t12?,13-,14?,16?/m1/s1
InChIKeyDFPGEPCZFJBWAF-YRUXVQORSA-N
XLogP5.47
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.95
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-[(1R)-1-cyclobutylethyl]-7-[1-(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-Cyclohexyl-9H-purin-6-amine
CID 95121
N-cyclopentyl-9-ethyl-9H-purin-6-amine
CID 15693948
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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R)-1-cyclobutylethyl]-7-[1-(4-methylcyclohexyl)ethyl]purin-6-amine?
The IUPAC name of 2-chloro-N-[(1R)-1-cyclobutylethyl]-7-[1-(4-methylcyclohexyl)ethyl]purin-6-amine (CID 90318024) is 2-chloro-N-[(1R)-1-cyclobutylethyl]-7-[1-(4-methylcyclohexyl)ethyl]purin-6-amine.
What is the SMILES notation for 2-chloro-N-[(1R)-1-cyclobutylethyl]-7-[1-(4-methylcyclohexyl)ethyl]purin-6-amine?
The canonical SMILES for 2-chloro-N-[(1R)-1-cyclobutylethyl]-7-[1-(4-methylcyclohexyl)ethyl]purin-6-amine is CC1CCC(C(C)n2cnc3nc(Cl)nc(N[C@H](C)C4CCC4)c32)CC1.
What is the InChIKey of 2-chloro-N-[(1R)-1-cyclobutylethyl]-7-[1-(4-methylcyclohexyl)ethyl]purin-6-amine?
The InChIKey is DFPGEPCZFJBWAF-YRUXVQORSA-N. The full InChI is InChI=1S/C20H30ClN5/c1-12-7-9-16(10-8-12)14(3)26-11-22-18-17(26)19(25-20(21)24-18)23-13(2)15-5-4-6-15/h11-16H,4-10H2,1-3H3,(H,23,24,25)/t12?,13-,14?,16?/m1/s1.
What are the key properties of 2-chloro-N-[(1R)-1-cyclobutylethyl]-7-[1-(4-methylcyclohexyl)ethyl]purin-6-amine?
2-chloro-N-[(1R)-1-cyclobutylethyl]-7-[1-(4-methylcyclohexyl)ethyl]purin-6-amine has a molecular weight of 375.95 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1R)-1-cyclobutylethyl]-7-[1-(4-methylcyclohexyl)ethyl]purin-6-amine is sourced from PubChem (CID 90318024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).