6-N-cyclohexyl-2-N-[4-[(1-ethylpiperidin-4-yl)methoxy]-2-methylphenyl]-7H-purine-2,6-diamine

C26H37N7O — CID 46927298

IUPAC6-N-cyclohexyl-2-N-[4-[(1-ethylpiperidin-4-yl)methoxy]-2-methylphenyl]-7H-purine-2,6-diamine
SMILESCCN1CCC(COc2ccc(Nc3nc(NC4CCCCC4)c4[nH]cnc4n3)c(C)c2)CC1
InChIInChI=1S/C26H37N7O/c1-3-33-13-11-19(12-14-33)16-34-21-9-10-22(18(2)15-21)30-26-31-24-23(27-17-28-24)25(32-26)29-20-7-5-4-6-8-20/h9-10,15,17,19-20H,3-8,11-14,16H2,1-2H3,(H3,27,28,29,30,31,32)
InChIKeyNLMNKOUJOBGRIB-UHFFFAOYSA-N
MW463.63 g/mol
LogP5.26
Rot. Bonds8

About 6-N-cyclohexyl-2-N-[4-[(1-ethylpiperidin-4-yl)methoxy]-2-methylphenyl]-7H-purine-2,6-diamine

6-N-cyclohexyl-2-N-[4-[(1-ethylpiperidin-4-yl)methoxy]-2-methylphenyl]-7H-purine-2,6-diamine (PubChem CID 46927298) has the molecular formula C26H37N7O and a molecular weight of 463.63 g/mol. Its IUPAC name is 6-N-cyclohexyl-2-N-[4-[(1-ethylpiperidin-4-yl)methoxy]-2-methylphenyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-cyclohexyl-2-N-[4-[(1-ethylpiperidin-4-yl)methoxy]-2-methylphenyl]-7H-purine-2,6-diamine
PubChem CID46927298
Molecular FormulaC26H37N7O
Molecular Weight463.63 g/mol
Exact Mass463.31
IUPAC Name6-N-cyclohexyl-2-N-[4-[(1-ethylpiperidin-4-yl)methoxy]-2-methylphenyl]-7H-purine-2,6-diamine
SMILESCCN1CCC(COc2ccc(Nc3nc(NC4CCCCC4)c4[nH]cnc4n3)c(C)c2)CC1
InChIInChI=1S/C26H37N7O/c1-3-33-13-11-19(12-14-33)16-34-21-9-10-22(18(2)15-21)30-26-31-24-23(27-17-28-24)25(32-26)29-20-7-5-4-6-8-20/h9-10,15,17,19-20H,3-8,11-14,16H2,1-2H3,(H3,27,28,29,30,31,32)
InChIKeyNLMNKOUJOBGRIB-UHFFFAOYSA-N
XLogP5.26
TPSA90.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.63
LogP ≤ 55.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-N-cyclohexyl-2-N-[4-[(1-ethylpiperidin-4-yl)methoxy]-2-methylphenyl]-7H-purine-2,6-diamine with MolForge

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Related Compounds

6-Cyclohexylmethyloxy-2-(4'-hydroxyanilino)purine
CID 447649
N'-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 943137
O6-Cyclohexylmethylguanine deriv. 26
CID 5329560
1-{6-[(4-ethoxyphenyl)amino]-9-isopropyl-9H-purin-2-yl}-3-methylpent-1-yn-3-ol
CID 6538967
2,6-Bis(4-methoxyphenyl)purine
CID 11493677
2-(4-methoxyphenyl)-6-phenyl-9H-purine
CID 11536774
2-{4-[(6,7-Difluoro-1h-Benzimidazol-2-Yl)amino]phenoxy}-N-Methyl-3,4'-Bipyridin-2'-Amine
CID 24983496
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 3234673
3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine
CID 25183355
3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]triazolo[4,5-b]pyridin-6-amine
CID 42602774
6-N-cyclohexyl-2-N-(2-ethoxy-4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine
CID 46927301
1-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methoxyphenyl)-4-pyridinyl]piperidin-4-amine
CID 118057675

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclohexyl-2-N-[4-[(1-ethylpiperidin-4-yl)methoxy]-2-methylphenyl]-7H-purine-2,6-diamine?
The IUPAC name of 6-N-cyclohexyl-2-N-[4-[(1-ethylpiperidin-4-yl)methoxy]-2-methylphenyl]-7H-purine-2,6-diamine (CID 46927298) is 6-N-cyclohexyl-2-N-[4-[(1-ethylpiperidin-4-yl)methoxy]-2-methylphenyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-cyclohexyl-2-N-[4-[(1-ethylpiperidin-4-yl)methoxy]-2-methylphenyl]-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-cyclohexyl-2-N-[4-[(1-ethylpiperidin-4-yl)methoxy]-2-methylphenyl]-7H-purine-2,6-diamine is CCN1CCC(COc2ccc(Nc3nc(NC4CCCCC4)c4[nH]cnc4n3)c(C)c2)CC1.
What is the InChIKey of 6-N-cyclohexyl-2-N-[4-[(1-ethylpiperidin-4-yl)methoxy]-2-methylphenyl]-7H-purine-2,6-diamine?
The InChIKey is NLMNKOUJOBGRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N7O/c1-3-33-13-11-19(12-14-33)16-34-21-9-10-22(18(2)15-21)30-26-31-24-23(27-17-28-24)25(32-26)29-20-7-5-4-6-8-20/h9-10,15,17,19-20H,3-8,11-14,16H2,1-2H3,(H3,27,28,29,30,31,32).
What are the key properties of 6-N-cyclohexyl-2-N-[4-[(1-ethylpiperidin-4-yl)methoxy]-2-methylphenyl]-7H-purine-2,6-diamine?
6-N-cyclohexyl-2-N-[4-[(1-ethylpiperidin-4-yl)methoxy]-2-methylphenyl]-7H-purine-2,6-diamine has a molecular weight of 463.63 g/mol, XLogP of 5.26, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclohexyl-2-N-[4-[(1-ethylpiperidin-4-yl)methoxy]-2-methylphenyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 46927298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).