N-[4-(cyclohexylmethoxy)phenyl]-7H-purin-6-amine

C18H21N5O — CID 166340246

IUPACN-[4-(cyclohexylmethoxy)phenyl]-7H-purin-6-amine
SMILESc1nc(Nc2ccc(OCC3CCCCC3)cc2)c2[nH]cnc2n1
InChIInChI=1S/C18H21N5O/c1-2-4-13(5-3-1)10-24-15-8-6-14(7-9-15)23-18-16-17(20-11-19-16)21-12-22-18/h6-9,11-13H,1-5,10H2,(H2,19,20,21,22,23)
InChIKeyNTZAHPPKLVAJEF-UHFFFAOYSA-N
MW323.40 g/mol
LogP4.06
Rot. Bonds5

About N-[4-(cyclohexylmethoxy)phenyl]-7H-purin-6-amine

N-[4-(cyclohexylmethoxy)phenyl]-7H-purin-6-amine (PubChem CID 166340246) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[4-(cyclohexylmethoxy)phenyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[4-(cyclohexylmethoxy)phenyl]-7H-purin-6-amine
PubChem CID166340246
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-[4-(cyclohexylmethoxy)phenyl]-7H-purin-6-amine
SMILESc1nc(Nc2ccc(OCC3CCCCC3)cc2)c2[nH]cnc2n1
InChIInChI=1S/C18H21N5O/c1-2-4-13(5-3-1)10-24-15-8-6-14(7-9-15)23-18-16-17(20-11-19-16)21-12-22-18/h6-9,11-13H,1-5,10H2,(H2,19,20,21,22,23)
InChIKeyNTZAHPPKLVAJEF-UHFFFAOYSA-N
XLogP4.06
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(cyclohexylmethoxy)-N-(4-fluorophenyl)-7H-purin-2-amine
CID 5329558
N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-7H-purin-6-amine
CID 94421834
4-(7H-purin-6-ylamino)benzenesulfonic acid
CID 22147127
N-cycloheptyl-N'-(7H-purin-6-yl)ethane-1,2-diamine
CID 78990142
N-(3,5-difluorophenyl)-7H-purin-6-amine
CID 69242091
2-(7H-purin-6-ylamino)cyclohexane-1-thiol
CID 518195
butyl 4-(7H-purin-6-ylamino)benzoate
CID 2155038
N-[4-(morpholin-4-ylmethyl)phenyl]-7H-purin-6-amine
CID 108773228
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-purin-6-amine
CID 108777633
6-(cyclohexylmethoxy)-N-(4-methylsulfonylphenyl)-7H-purin-1-ium-2-amine
CID 123841356
3-[4-(7H-purin-6-ylamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 118478772
6-[2-[(4-chlorophenoxy)methyl]pyrrolidin-1-yl]-7H-purine
CID 67314760

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohexylmethoxy)phenyl]-7H-purin-6-amine?
The IUPAC name of N-[4-(cyclohexylmethoxy)phenyl]-7H-purin-6-amine (CID 166340246) is N-[4-(cyclohexylmethoxy)phenyl]-7H-purin-6-amine.
What is the SMILES notation for N-[4-(cyclohexylmethoxy)phenyl]-7H-purin-6-amine?
The canonical SMILES for N-[4-(cyclohexylmethoxy)phenyl]-7H-purin-6-amine is c1nc(Nc2ccc(OCC3CCCCC3)cc2)c2[nH]cnc2n1.
What is the InChIKey of N-[4-(cyclohexylmethoxy)phenyl]-7H-purin-6-amine?
The InChIKey is NTZAHPPKLVAJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-2-4-13(5-3-1)10-24-15-8-6-14(7-9-15)23-18-16-17(20-11-19-16)21-12-22-18/h6-9,11-13H,1-5,10H2,(H2,19,20,21,22,23).
What are the key properties of N-[4-(cyclohexylmethoxy)phenyl]-7H-purin-6-amine?
N-[4-(cyclohexylmethoxy)phenyl]-7H-purin-6-amine has a molecular weight of 323.40 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohexylmethoxy)phenyl]-7H-purin-6-amine is sourced from PubChem (CID 166340246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).