6-N-cyclohexyl-2-N-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-7H-purine-2,6-diamine

C24H33N7O2 — CID 46927299

IUPAC6-N-cyclohexyl-2-N-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-7H-purine-2,6-diamine
SMILESCc1cc(OCCN2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C24H33N7O2/c1-17-15-19(33-14-11-31-9-12-32-13-10-31)7-8-20(17)28-24-29-22-21(25-16-26-22)23(30-24)27-18-5-3-2-4-6-18/h7-8,15-16,18H,2-6,9-14H2,1H3,(H3,25,26,27,28,29,30)
InChIKeyFZQQTCKTGLQJKS-UHFFFAOYSA-N
MW451.58 g/mol
LogP3.86
Rot. Bonds8

About 6-N-cyclohexyl-2-N-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-7H-purine-2,6-diamine

6-N-cyclohexyl-2-N-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-7H-purine-2,6-diamine (PubChem CID 46927299) has the molecular formula C24H33N7O2 and a molecular weight of 451.58 g/mol. Its IUPAC name is 6-N-cyclohexyl-2-N-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-cyclohexyl-2-N-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-7H-purine-2,6-diamine
PubChem CID46927299
Molecular FormulaC24H33N7O2
Molecular Weight451.58 g/mol
Exact Mass451.27
IUPAC Name6-N-cyclohexyl-2-N-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-7H-purine-2,6-diamine
SMILESCc1cc(OCCN2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C24H33N7O2/c1-17-15-19(33-14-11-31-9-12-32-13-10-31)7-8-20(17)28-24-29-22-21(25-16-26-22)23(30-24)27-18-5-3-2-4-6-18/h7-8,15-16,18H,2-6,9-14H2,1H3,(H3,25,26,27,28,29,30)
InChIKeyFZQQTCKTGLQJKS-UHFFFAOYSA-N
XLogP3.86
TPSA100.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.58
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-N-cyclohexyl-2-N-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-7H-purine-2,6-diamine with MolForge

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Related Compounds

6-N-cyclohexyl-2-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;hydrochloride
CID 91895225
6-N-cyclohexyl-2-N-[4-[(1-ethylpiperidin-4-yl)methoxy]-2-methylphenyl]-7H-purine-2,6-diamine
CID 46927298
N-[3-[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methylphenoxy]propyl]-1H-imidazole-2-carboxamide
CID 46926982
6-N-cyclohexyl-2-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methylphenyl]-7H-purine-2,6-diamine
CID 69264716
2-N-[2-methyl-4-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]phenyl]-6-N-(oxan-4-yl)-7H-purine-2,6-diamine
CID 46927803
2-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methylphenyl]-6-N-(oxan-4-yl)-7H-purine-2,6-diamine
CID 69263762
6-N-cyclohexyl-2-N-[2-methyl-4-(4-methylcyclohexyl)phenyl]-7H-purine-2,6-diamine
CID 91307740
2-N-[2-methoxy-4-(3-morpholin-4-ylprop-1-ynyl)phenyl]-6-N-(oxan-4-yl)-7H-purine-2,6-diamine
CID 69180929
6-N-cyclohexyl-2-N-(2-methoxy-4-methylphenyl)-7H-purine-2,6-diamine
CID 91243419
4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 46927222
8-[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]phenoxy]-1-hydroxyoctan-2-one
CID 159019262
[4-[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 70692558

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclohexyl-2-N-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-7H-purine-2,6-diamine?
The IUPAC name of 6-N-cyclohexyl-2-N-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-7H-purine-2,6-diamine (CID 46927299) is 6-N-cyclohexyl-2-N-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-cyclohexyl-2-N-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-cyclohexyl-2-N-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-7H-purine-2,6-diamine is Cc1cc(OCCN2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1.
What is the InChIKey of 6-N-cyclohexyl-2-N-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-7H-purine-2,6-diamine?
The InChIKey is FZQQTCKTGLQJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O2/c1-17-15-19(33-14-11-31-9-12-32-13-10-31)7-8-20(17)28-24-29-22-21(25-16-26-22)23(30-24)27-18-5-3-2-4-6-18/h7-8,15-16,18H,2-6,9-14H2,1H3,(H3,25,26,27,28,29,30).
What are the key properties of 6-N-cyclohexyl-2-N-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-7H-purine-2,6-diamine?
6-N-cyclohexyl-2-N-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-7H-purine-2,6-diamine has a molecular weight of 451.58 g/mol, XLogP of 3.86, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclohexyl-2-N-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 46927299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).