9-cyclopentyl-8-N-(2-fluorophenyl)-2-N-(4-morpholin-4-ylphenyl)-7,8-dihydropurine-2,8-diamine

C26H30FN7O — CID 143262426

IUPAC9-cyclopentyl-8-N-(2-fluorophenyl)-2-N-(4-morpholin-4-ylphenyl)-7,8-dihydropurine-2,8-diamine
SMILESFc1ccccc1NC1Nc2cnc(Nc3ccc(N4CCOCC4)cc3)nc2N1C1CCCC1
InChIInChI=1S/C26H30FN7O/c27-21-7-3-4-8-22(21)30-26-31-23-17-28-25(32-24(23)34(26)20-5-1-2-6-20)29-18-9-11-19(12-10-18)33-13-15-35-16-14-33/h3-4,7-12,17,20,26,30-31H,1-2,5-6,13-16H2,(H,28,29,32)
InChIKeyQGUFTUBWMJPVPC-UHFFFAOYSA-N
MW475.57 g/mol
LogP4.77
Rot. Bonds6

About 9-cyclopentyl-8-N-(2-fluorophenyl)-2-N-(4-morpholin-4-ylphenyl)-7,8-dihydropurine-2,8-diamine

9-cyclopentyl-8-N-(2-fluorophenyl)-2-N-(4-morpholin-4-ylphenyl)-7,8-dihydropurine-2,8-diamine (PubChem CID 143262426) has the molecular formula C26H30FN7O and a molecular weight of 475.57 g/mol. Its IUPAC name is 9-cyclopentyl-8-N-(2-fluorophenyl)-2-N-(4-morpholin-4-ylphenyl)-7,8-dihydropurine-2,8-diamine.

Molecular Properties

Compound Name9-cyclopentyl-8-N-(2-fluorophenyl)-2-N-(4-morpholin-4-ylphenyl)-7,8-dihydropurine-2,8-diamine
PubChem CID143262426
Molecular FormulaC26H30FN7O
Molecular Weight475.57 g/mol
Exact Mass475.25
IUPAC Name9-cyclopentyl-8-N-(2-fluorophenyl)-2-N-(4-morpholin-4-ylphenyl)-7,8-dihydropurine-2,8-diamine
SMILESFc1ccccc1NC1Nc2cnc(Nc3ccc(N4CCOCC4)cc3)nc2N1C1CCCC1
InChIInChI=1S/C26H30FN7O/c27-21-7-3-4-8-22(21)30-26-31-23-17-28-25(32-24(23)34(26)20-5-1-2-6-20)29-18-9-11-19(12-10-18)33-13-15-35-16-14-33/h3-4,7-12,17,20,26,30-31H,1-2,5-6,13-16H2,(H,28,29,32)
InChIKeyQGUFTUBWMJPVPC-UHFFFAOYSA-N
XLogP4.77
TPSA77.58 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-N-cyclohexyl-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 11710471
1-cyclopentyl-6-(4-morpholin-4-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-one
CID 59686676
8-cyclopentyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 5330331
4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4,5-triamine
CID 58786809
9-cyclopentyl-8-N-(2-fluorophenyl)-2-N-(4-fluorophenyl)purine-2,8-diamine;methane
CID 159515846
1-cyclopentyl-N-(4-morpholin-4-ylphenyl)-2,2-dioxopyrimido[4,5-c]thiazin-7-amine
CID 10127168
(7R)-8-cyclohexyl-2-[(7-fluoro-1H-indazol-5-yl)amino]-7-methyl-5-(4-morpholin-4-ylphenyl)-7H-pteridin-6-one
CID 71566533
(3S)-1-[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 165402838
1-[2-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]-3-cyclohexylurea
CID 59363109
6-bromo-8-cyclopentyl-5-methyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 10227878
4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)-5-(thiophen-2-ylmethylideneamino)pyrimidine-2,4-diamine
CID 164619227
1-cyclopentyl-2-ethyl-4-methyl-7-(4-morpholin-4-ylanilino)pyrimido[5,4-e][1,2,4]triazin-3-one
CID 69187487

Frequently Asked Questions

What is the IUPAC name of 9-cyclopentyl-8-N-(2-fluorophenyl)-2-N-(4-morpholin-4-ylphenyl)-7,8-dihydropurine-2,8-diamine?
The IUPAC name of 9-cyclopentyl-8-N-(2-fluorophenyl)-2-N-(4-morpholin-4-ylphenyl)-7,8-dihydropurine-2,8-diamine (CID 143262426) is 9-cyclopentyl-8-N-(2-fluorophenyl)-2-N-(4-morpholin-4-ylphenyl)-7,8-dihydropurine-2,8-diamine.
What is the SMILES notation for 9-cyclopentyl-8-N-(2-fluorophenyl)-2-N-(4-morpholin-4-ylphenyl)-7,8-dihydropurine-2,8-diamine?
The canonical SMILES for 9-cyclopentyl-8-N-(2-fluorophenyl)-2-N-(4-morpholin-4-ylphenyl)-7,8-dihydropurine-2,8-diamine is Fc1ccccc1NC1Nc2cnc(Nc3ccc(N4CCOCC4)cc3)nc2N1C1CCCC1.
What is the InChIKey of 9-cyclopentyl-8-N-(2-fluorophenyl)-2-N-(4-morpholin-4-ylphenyl)-7,8-dihydropurine-2,8-diamine?
The InChIKey is QGUFTUBWMJPVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN7O/c27-21-7-3-4-8-22(21)30-26-31-23-17-28-25(32-24(23)34(26)20-5-1-2-6-20)29-18-9-11-19(12-10-18)33-13-15-35-16-14-33/h3-4,7-12,17,20,26,30-31H,1-2,5-6,13-16H2,(H,28,29,32).
What are the key properties of 9-cyclopentyl-8-N-(2-fluorophenyl)-2-N-(4-morpholin-4-ylphenyl)-7,8-dihydropurine-2,8-diamine?
9-cyclopentyl-8-N-(2-fluorophenyl)-2-N-(4-morpholin-4-ylphenyl)-7,8-dihydropurine-2,8-diamine has a molecular weight of 475.57 g/mol, XLogP of 4.77, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopentyl-8-N-(2-fluorophenyl)-2-N-(4-morpholin-4-ylphenyl)-7,8-dihydropurine-2,8-diamine is sourced from PubChem (CID 143262426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).