6-N-cyclohexyl-2-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methylphenyl]-7H-purine-2,6-diamine

C25H35N7O — CID 69264716

IUPAC6-N-cyclohexyl-2-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methylphenyl]-7H-purine-2,6-diamine
SMILESCc1cc(CN2C[C@@H](C)O[C@@H](C)C2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C25H35N7O/c1-16-11-19(14-32-12-17(2)33-18(3)13-32)9-10-21(16)29-25-30-23-22(26-15-27-23)24(31-25)28-20-7-5-4-6-8-20/h9-11,15,17-18,20H,4-8,12-14H2,1-3H3,(H3,26,27,28,29,30,31)/t17-,18+
InChIKeyUSFVWOAMUXPLPV-HDICACEKSA-N
MW449.60 g/mol
LogP4.76
Rot. Bonds6

About 6-N-cyclohexyl-2-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methylphenyl]-7H-purine-2,6-diamine

6-N-cyclohexyl-2-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methylphenyl]-7H-purine-2,6-diamine (PubChem CID 69264716) has the molecular formula C25H35N7O and a molecular weight of 449.60 g/mol. Its IUPAC name is 6-N-cyclohexyl-2-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methylphenyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-cyclohexyl-2-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methylphenyl]-7H-purine-2,6-diamine
PubChem CID69264716
Molecular FormulaC25H35N7O
Molecular Weight449.60 g/mol
Exact Mass449.29
IUPAC Name6-N-cyclohexyl-2-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methylphenyl]-7H-purine-2,6-diamine
SMILESCc1cc(CN2C[C@@H](C)O[C@@H](C)C2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C25H35N7O/c1-16-11-19(14-32-12-17(2)33-18(3)13-32)9-10-21(16)29-25-30-23-22(26-15-27-23)24(31-25)28-20-7-5-4-6-8-20/h9-11,15,17-18,20H,4-8,12-14H2,1-3H3,(H3,26,27,28,29,30,31)/t17-,18+
InChIKeyUSFVWOAMUXPLPV-HDICACEKSA-N
XLogP4.76
TPSA90.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-N-cyclohexyl-2-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methylphenyl]-7H-purine-2,6-diamine?
The IUPAC name of 6-N-cyclohexyl-2-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methylphenyl]-7H-purine-2,6-diamine (CID 69264716) is 6-N-cyclohexyl-2-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methylphenyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-cyclohexyl-2-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methylphenyl]-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-cyclohexyl-2-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methylphenyl]-7H-purine-2,6-diamine is Cc1cc(CN2C[C@@H](C)O[C@@H](C)C2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1.
What is the InChIKey of 6-N-cyclohexyl-2-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methylphenyl]-7H-purine-2,6-diamine?
The InChIKey is USFVWOAMUXPLPV-HDICACEKSA-N. The full InChI is InChI=1S/C25H35N7O/c1-16-11-19(14-32-12-17(2)33-18(3)13-32)9-10-21(16)29-25-30-23-22(26-15-27-23)24(31-25)28-20-7-5-4-6-8-20/h9-11,15,17-18,20H,4-8,12-14H2,1-3H3,(H3,26,27,28,29,30,31)/t17-,18+.
What are the key properties of 6-N-cyclohexyl-2-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methylphenyl]-7H-purine-2,6-diamine?
6-N-cyclohexyl-2-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methylphenyl]-7H-purine-2,6-diamine has a molecular weight of 449.60 g/mol, XLogP of 4.76, 6 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-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methylphenyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 69264716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).