6-chloro-9-(4-cyclohexylphenyl)purin-2-amine

C17H18ClN5 — CID 46931824

IUPAC6-chloro-9-(4-cyclohexylphenyl)purin-2-amine
SMILESNc1nc(Cl)c2ncn(-c3ccc(C4CCCCC4)cc3)c2n1
InChIInChI=1S/C17H18ClN5/c18-15-14-16(22-17(19)21-15)23(10-20-14)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,19,21,22)
InChIKeyLTVWWJIPTUWCOT-UHFFFAOYSA-N
MW327.82 g/mol
LogP4.10
Rot. Bonds2

About 6-chloro-9-(4-cyclohexylphenyl)purin-2-amine

6-chloro-9-(4-cyclohexylphenyl)purin-2-amine (PubChem CID 46931824) has the molecular formula C17H18ClN5 and a molecular weight of 327.82 g/mol. Its IUPAC name is 6-chloro-9-(4-cyclohexylphenyl)purin-2-amine.

Molecular Properties

Compound Name6-chloro-9-(4-cyclohexylphenyl)purin-2-amine
PubChem CID46931824
Molecular FormulaC17H18ClN5
Molecular Weight327.82 g/mol
Exact Mass327.13
IUPAC Name6-chloro-9-(4-cyclohexylphenyl)purin-2-amine
SMILESNc1nc(Cl)c2ncn(-c3ccc(C4CCCCC4)cc3)c2n1
InChIInChI=1S/C17H18ClN5/c18-15-14-16(22-17(19)21-15)23(10-20-14)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,19,21,22)
InChIKeyLTVWWJIPTUWCOT-UHFFFAOYSA-N
XLogP4.10
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
Arprinocid
CID 41574
Miransertib
CID 53262401
Cgp74514A
CID 2794188
9-(2-phenylethyl)-9H-purin-6-amine
CID 309375
9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-6-(piperidin-1-yl)-9H-purine
CID 25190877
2-[Trans-(4-Aminocyclohexyl)Amino]-6-(Benzyl-Amino)-9-Cyclopentylpurine
CID 3543
N-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
CID 44563262
9-(Phenylmethyl)-9H-purin-6-amine
CID 20262
Diphenyl purine derivative 1
CID 71714624
Cgp-62464
CID 354471
N2-[(1R,2S)-2-Aminocyclohexyl]-N6-(3-chlorophenyl)-9-ethyl-9H-purine-2,6-diamine
CID 5327151

Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-(4-cyclohexylphenyl)purin-2-amine?
The IUPAC name of 6-chloro-9-(4-cyclohexylphenyl)purin-2-amine (CID 46931824) is 6-chloro-9-(4-cyclohexylphenyl)purin-2-amine.
What is the SMILES notation for 6-chloro-9-(4-cyclohexylphenyl)purin-2-amine?
The canonical SMILES for 6-chloro-9-(4-cyclohexylphenyl)purin-2-amine is Nc1nc(Cl)c2ncn(-c3ccc(C4CCCCC4)cc3)c2n1.
What is the InChIKey of 6-chloro-9-(4-cyclohexylphenyl)purin-2-amine?
The InChIKey is LTVWWJIPTUWCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5/c18-15-14-16(22-17(19)21-15)23(10-20-14)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,19,21,22).
What are the key properties of 6-chloro-9-(4-cyclohexylphenyl)purin-2-amine?
6-chloro-9-(4-cyclohexylphenyl)purin-2-amine has a molecular weight of 327.82 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-(4-cyclohexylphenyl)purin-2-amine is sourced from PubChem (CID 46931824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).