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

C25H34N6 — CID 91307740

IUPAC6-N-cyclohexyl-2-N-[2-methyl-4-(4-methylcyclohexyl)phenyl]-7H-purine-2,6-diamine
SMILESCc1cc(C2CCC(C)CC2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C25H34N6/c1-16-8-10-18(11-9-16)19-12-13-21(17(2)14-19)29-25-30-23-22(26-15-27-23)24(31-25)28-20-6-4-3-5-7-20/h12-16,18,20H,3-11H2,1-2H3,(H3,26,27,28,29,30,31)
InChIKeyOUDSINZWHPYLDN-UHFFFAOYSA-N
MW418.59 g/mol
LogP6.44
Rot. Bonds5

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

6-N-cyclohexyl-2-N-[2-methyl-4-(4-methylcyclohexyl)phenyl]-7H-purine-2,6-diamine (PubChem CID 91307740) has the molecular formula C25H34N6 and a molecular weight of 418.59 g/mol. Its IUPAC name is 6-N-cyclohexyl-2-N-[2-methyl-4-(4-methylcyclohexyl)phenyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-cyclohexyl-2-N-[2-methyl-4-(4-methylcyclohexyl)phenyl]-7H-purine-2,6-diamine
PubChem CID91307740
Molecular FormulaC25H34N6
Molecular Weight418.59 g/mol
Exact Mass418.28
IUPAC Name6-N-cyclohexyl-2-N-[2-methyl-4-(4-methylcyclohexyl)phenyl]-7H-purine-2,6-diamine
SMILESCc1cc(C2CCC(C)CC2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C25H34N6/c1-16-8-10-18(11-9-16)19-12-13-21(17(2)14-19)29-25-30-23-22(26-15-27-23)24(31-25)28-20-6-4-3-5-7-20/h12-16,18,20H,3-11H2,1-2H3,(H3,26,27,28,29,30,31)
InChIKeyOUDSINZWHPYLDN-UHFFFAOYSA-N
XLogP6.44
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.59
LogP ≤ 56.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

6-N-cyclohexyl-2-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methylphenyl]-7H-purine-2,6-diamine
CID 69264716
6-N-cyclohexyl-2-N-(2-methoxy-4-methylphenyl)-7H-purine-2,6-diamine
CID 91243419
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
6-N-cyclohexyl-2-N-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-7H-purine-2,6-diamine
CID 46927299
4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 46927222
N-[3-[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methylphenoxy]propyl]-1H-imidazole-2-carboxamide
CID 46926982
6-N-cyclopentyl-2-N-ethyl-7H-purine-2,6-diamine
CID 114783648
6-N-cyclopropyl-2-N-pyridin-4-yl-7H-purine-2,6-diamine
CID 25121463
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
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-aminocyclohexyl)-6-N-cyclopentyl-7H-purine-2,6-diamine
CID 141001606

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclohexyl-2-N-[2-methyl-4-(4-methylcyclohexyl)phenyl]-7H-purine-2,6-diamine?
The IUPAC name of 6-N-cyclohexyl-2-N-[2-methyl-4-(4-methylcyclohexyl)phenyl]-7H-purine-2,6-diamine (CID 91307740) is 6-N-cyclohexyl-2-N-[2-methyl-4-(4-methylcyclohexyl)phenyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-cyclohexyl-2-N-[2-methyl-4-(4-methylcyclohexyl)phenyl]-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-cyclohexyl-2-N-[2-methyl-4-(4-methylcyclohexyl)phenyl]-7H-purine-2,6-diamine is Cc1cc(C2CCC(C)CC2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1.
What is the InChIKey of 6-N-cyclohexyl-2-N-[2-methyl-4-(4-methylcyclohexyl)phenyl]-7H-purine-2,6-diamine?
The InChIKey is OUDSINZWHPYLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6/c1-16-8-10-18(11-9-16)19-12-13-21(17(2)14-19)29-25-30-23-22(26-15-27-23)24(31-25)28-20-6-4-3-5-7-20/h12-16,18,20H,3-11H2,1-2H3,(H3,26,27,28,29,30,31).
What are the key properties of 6-N-cyclohexyl-2-N-[2-methyl-4-(4-methylcyclohexyl)phenyl]-7H-purine-2,6-diamine?
6-N-cyclohexyl-2-N-[2-methyl-4-(4-methylcyclohexyl)phenyl]-7H-purine-2,6-diamine has a molecular weight of 418.59 g/mol, XLogP of 6.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclohexyl-2-N-[2-methyl-4-(4-methylcyclohexyl)phenyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 91307740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).