6-N-cyclohexyl-2-N-(2-methoxy-4-methylphenyl)-7H-purine-2,6-diamine

C19H24N6O — CID 91243419

IUPAC6-N-cyclohexyl-2-N-(2-methoxy-4-methylphenyl)-7H-purine-2,6-diamine
SMILESCOc1cc(C)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C19H24N6O/c1-12-8-9-14(15(10-12)26-2)23-19-24-17-16(20-11-21-17)18(25-19)22-13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H3,20,21,22,23,24,25)
InChIKeyDDKCPJJWAZOKSQ-UHFFFAOYSA-N
MW352.44 g/mol
LogP4.16
Rot. Bonds5

About 6-N-cyclohexyl-2-N-(2-methoxy-4-methylphenyl)-7H-purine-2,6-diamine

6-N-cyclohexyl-2-N-(2-methoxy-4-methylphenyl)-7H-purine-2,6-diamine (PubChem CID 91243419) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 6-N-cyclohexyl-2-N-(2-methoxy-4-methylphenyl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-cyclohexyl-2-N-(2-methoxy-4-methylphenyl)-7H-purine-2,6-diamine
PubChem CID91243419
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name6-N-cyclohexyl-2-N-(2-methoxy-4-methylphenyl)-7H-purine-2,6-diamine
SMILESCOc1cc(C)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C19H24N6O/c1-12-8-9-14(15(10-12)26-2)23-19-24-17-16(20-11-21-17)18(25-19)22-13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H3,20,21,22,23,24,25)
InChIKeyDDKCPJJWAZOKSQ-UHFFFAOYSA-N
XLogP4.16
TPSA87.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 70692558
[1-[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 70688375
6-N-cyclohexyl-2-N-[2-methyl-4-(4-methylcyclohexyl)phenyl]-7H-purine-2,6-diamine
CID 91307740
[4-[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 68749690
2-[4-[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methoxyphenyl]-3,6-dihydro-2H-pyridin-1-yl]-1-methylcyclopropane-1-carbaldehyde
CID 87561834
6-N-cyclohexyl-2-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;hydrochloride
CID 91895225
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-[4-[(1-ethylpiperidin-4-yl)methoxy]-2-methylphenyl]-7H-purine-2,6-diamine
CID 46927298
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-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-7H-purine-2,6-diamine
CID 46927299
N-(2-methoxy-4-methylphenyl)cycloheptanamine
CID 54865924
6-N-cyclopentyl-2-N-ethyl-7H-purine-2,6-diamine
CID 114783648

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclohexyl-2-N-(2-methoxy-4-methylphenyl)-7H-purine-2,6-diamine?
The IUPAC name of 6-N-cyclohexyl-2-N-(2-methoxy-4-methylphenyl)-7H-purine-2,6-diamine (CID 91243419) is 6-N-cyclohexyl-2-N-(2-methoxy-4-methylphenyl)-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-cyclohexyl-2-N-(2-methoxy-4-methylphenyl)-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-cyclohexyl-2-N-(2-methoxy-4-methylphenyl)-7H-purine-2,6-diamine is COc1cc(C)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1.
What is the InChIKey of 6-N-cyclohexyl-2-N-(2-methoxy-4-methylphenyl)-7H-purine-2,6-diamine?
The InChIKey is DDKCPJJWAZOKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-12-8-9-14(15(10-12)26-2)23-19-24-17-16(20-11-21-17)18(25-19)22-13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H3,20,21,22,23,24,25).
What are the key properties of 6-N-cyclohexyl-2-N-(2-methoxy-4-methylphenyl)-7H-purine-2,6-diamine?
6-N-cyclohexyl-2-N-(2-methoxy-4-methylphenyl)-7H-purine-2,6-diamine has a molecular weight of 352.44 g/mol, XLogP of 4.16, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclohexyl-2-N-(2-methoxy-4-methylphenyl)-7H-purine-2,6-diamine is sourced from PubChem (CID 91243419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).