N-[4-(3-aminopropoxy)phenyl]-6-cyclohexyl-7H-purin-2-amine

C20H26N6O — CID 68754960

IUPACN-[4-(3-aminopropoxy)phenyl]-6-cyclohexyl-7H-purin-2-amine
SMILESNCCCOc1ccc(Nc2nc(C3CCCCC3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C20H26N6O/c21-11-4-12-27-16-9-7-15(8-10-16)24-20-25-17(14-5-2-1-3-6-14)18-19(26-20)23-13-22-18/h7-10,13-14H,1-6,11-12,21H2,(H2,22,23,24,25,26)
InChIKeyFYOWFPWQZADMSK-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.87
Rot. Bonds7

About N-[4-(3-aminopropoxy)phenyl]-6-cyclohexyl-7H-purin-2-amine

N-[4-(3-aminopropoxy)phenyl]-6-cyclohexyl-7H-purin-2-amine (PubChem CID 68754960) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[4-(3-aminopropoxy)phenyl]-6-cyclohexyl-7H-purin-2-amine.

Molecular Properties

Compound NameN-[4-(3-aminopropoxy)phenyl]-6-cyclohexyl-7H-purin-2-amine
PubChem CID68754960
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC NameN-[4-(3-aminopropoxy)phenyl]-6-cyclohexyl-7H-purin-2-amine
SMILESNCCCOc1ccc(Nc2nc(C3CCCCC3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C20H26N6O/c21-11-4-12-27-16-9-7-15(8-10-16)24-20-25-17(14-5-2-1-3-6-14)18-19(26-20)23-13-22-18/h7-10,13-14H,1-6,11-12,21H2,(H2,22,23,24,25,26)
InChIKeyFYOWFPWQZADMSK-UHFFFAOYSA-N
XLogP3.87
TPSA101.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]phenoxy]-1-hydroxyoctan-2-one
CID 159019262
6-(cyclohexylmethoxy)-N-(4-fluorophenyl)-7H-purin-2-amine
CID 5329558
N-hydroxy-7-[4-[(6-piperidin-1-yl-7H-purin-2-yl)amino]phenoxy]heptanamide
CID 118515637
7-[4-[[7-(cyclohexylamino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]phenoxy]-N-hydroxyheptanamide
CID 118515681
8-[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]phenoxy]-8-hydroxyoctanamide;hydrochloride
CID 175058647
N-[4-(cyclohexylmethoxy)phenyl]-7H-purin-6-amine
CID 166340246
3-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenol
CID 123894268
6-cyclopropyl-N-(1,4-dimethylpyrazol-3-yl)-7H-purin-2-amine
CID 164740937
N-[4-(1-chloroethenylsulfonyl)phenyl]-6-(cyclohexylmethoxy)-7H-purin-2-amine
CID 73297270
7-[4-[[6-(diethylamino)-7H-purin-2-yl]amino]phenoxy]-N-hydroxyheptanamide
CID 118518128
2-(4-cyclohexylphenoxy)ethanamine
CID 542015
6-N-cyclohexyl-2-N-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-7H-purine-2,6-diamine
CID 46927299

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminopropoxy)phenyl]-6-cyclohexyl-7H-purin-2-amine?
The IUPAC name of N-[4-(3-aminopropoxy)phenyl]-6-cyclohexyl-7H-purin-2-amine (CID 68754960) is N-[4-(3-aminopropoxy)phenyl]-6-cyclohexyl-7H-purin-2-amine.
What is the SMILES notation for N-[4-(3-aminopropoxy)phenyl]-6-cyclohexyl-7H-purin-2-amine?
The canonical SMILES for N-[4-(3-aminopropoxy)phenyl]-6-cyclohexyl-7H-purin-2-amine is NCCCOc1ccc(Nc2nc(C3CCCCC3)c3[nH]cnc3n2)cc1.
What is the InChIKey of N-[4-(3-aminopropoxy)phenyl]-6-cyclohexyl-7H-purin-2-amine?
The InChIKey is FYOWFPWQZADMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c21-11-4-12-27-16-9-7-15(8-10-16)24-20-25-17(14-5-2-1-3-6-14)18-19(26-20)23-13-22-18/h7-10,13-14H,1-6,11-12,21H2,(H2,22,23,24,25,26).
What are the key properties of N-[4-(3-aminopropoxy)phenyl]-6-cyclohexyl-7H-purin-2-amine?
N-[4-(3-aminopropoxy)phenyl]-6-cyclohexyl-7H-purin-2-amine has a molecular weight of 366.47 g/mol, XLogP of 3.87, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminopropoxy)phenyl]-6-cyclohexyl-7H-purin-2-amine is sourced from PubChem (CID 68754960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).