4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methyl-N-(2-pyridin-4-ylethyl)benzamide

C26H30N8O — CID 46927222

IUPAC4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methyl-N-(2-pyridin-4-ylethyl)benzamide
SMILESCc1cc(C(=O)NCCc2ccncc2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C26H30N8O/c1-17-15-19(25(35)28-14-11-18-9-12-27-13-10-18)7-8-21(17)32-26-33-23-22(29-16-30-23)24(34-26)31-20-5-3-2-4-6-20/h7-10,12-13,15-16,20H,2-6,11,14H2,1H3,(H,28,35)(H3,29,30,31,32,33,34)
InChIKeyYCFKYVJSYNQXGO-UHFFFAOYSA-N
MW470.58 g/mol
LogP4.52
Rot. Bonds8

About 4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methyl-N-(2-pyridin-4-ylethyl)benzamide

4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methyl-N-(2-pyridin-4-ylethyl)benzamide (PubChem CID 46927222) has the molecular formula C26H30N8O and a molecular weight of 470.58 g/mol. Its IUPAC name is 4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methyl-N-(2-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methyl-N-(2-pyridin-4-ylethyl)benzamide
PubChem CID46927222
Molecular FormulaC26H30N8O
Molecular Weight470.58 g/mol
Exact Mass470.25
IUPAC Name4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methyl-N-(2-pyridin-4-ylethyl)benzamide
SMILESCc1cc(C(=O)NCCc2ccncc2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C26H30N8O/c1-17-15-19(25(35)28-14-11-18-9-12-27-13-10-18)7-8-21(17)32-26-33-23-22(29-16-30-23)24(34-26)31-20-5-3-2-4-6-20/h7-10,12-13,15-16,20H,2-6,11,14H2,1H3,(H,28,35)(H3,29,30,31,32,33,34)
InChIKeyYCFKYVJSYNQXGO-UHFFFAOYSA-N
XLogP4.52
TPSA120.51 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 54.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methyl-N-(2-pyridin-4-ylethyl)benzamide with MolForge

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Related Compounds

N-[3-[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methylphenoxy]propyl]-1H-imidazole-2-carboxamide
CID 46926982
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-cyclopropyl-2-N-pyridin-4-yl-7H-purine-2,6-diamine
CID 25121463
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
N-(2-pyridin-4-ylethyl)-1H-indole-6-carboxamide
CID 63769836
[4-[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 70692558
6-N-cyclopropyl-2-N-(4-methylquinolin-6-yl)-7H-purine-2,6-diamine;methanesulfonic acid;dihydrate
CID 162313596
8-[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]phenoxy]-1-hydroxyoctan-2-one
CID 159019262
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
[4-[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 68749690

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methyl-N-(2-pyridin-4-ylethyl)benzamide?
The IUPAC name of 4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methyl-N-(2-pyridin-4-ylethyl)benzamide (CID 46927222) is 4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methyl-N-(2-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for 4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methyl-N-(2-pyridin-4-ylethyl)benzamide?
The canonical SMILES for 4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methyl-N-(2-pyridin-4-ylethyl)benzamide is Cc1cc(C(=O)NCCc2ccncc2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1.
What is the InChIKey of 4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methyl-N-(2-pyridin-4-ylethyl)benzamide?
The InChIKey is YCFKYVJSYNQXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8O/c1-17-15-19(25(35)28-14-11-18-9-12-27-13-10-18)7-8-21(17)32-26-33-23-22(29-16-30-23)24(34-26)31-20-5-3-2-4-6-20/h7-10,12-13,15-16,20H,2-6,11,14H2,1H3,(H,28,35)(H3,29,30,31,32,33,34).
What are the key properties of 4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methyl-N-(2-pyridin-4-ylethyl)benzamide?
4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methyl-N-(2-pyridin-4-ylethyl)benzamide has a molecular weight of 470.58 g/mol, XLogP of 4.52, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methyl-N-(2-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 46927222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).