8-N-(2-fluorophenyl)-2-N-(oxan-4-yl)-9-propan-2-ylpurine-2,8-diamine;methane

C20H27FN6O — CID 158977450

IUPAC8-N-(2-fluorophenyl)-2-N-(oxan-4-yl)-9-propan-2-ylpurine-2,8-diamine;methane
SMILESC.CC(C)n1c(Nc2ccccc2F)nc2cnc(NC3CCOCC3)nc21
InChIInChI=1S/C19H23FN6O.CH4/c1-12(2)26-17-16(24-19(26)23-15-6-4-3-5-14(15)20)11-21-18(25-17)22-13-7-9-27-10-8-13;/h3-6,11-13H,7-10H2,1-2H3,(H,23,24)(H,21,22,25);1H4
InChIKeyJOOMIRBPQSKGHJ-UHFFFAOYSA-N
MW386.48 g/mol
LogP4.52
Rot. Bonds5

About 8-N-(2-fluorophenyl)-2-N-(oxan-4-yl)-9-propan-2-ylpurine-2,8-diamine;methane

8-N-(2-fluorophenyl)-2-N-(oxan-4-yl)-9-propan-2-ylpurine-2,8-diamine;methane (PubChem CID 158977450) has the molecular formula C20H27FN6O and a molecular weight of 386.48 g/mol. Its IUPAC name is 8-N-(2-fluorophenyl)-2-N-(oxan-4-yl)-9-propan-2-ylpurine-2,8-diamine;methane.

Molecular Properties

Compound Name8-N-(2-fluorophenyl)-2-N-(oxan-4-yl)-9-propan-2-ylpurine-2,8-diamine;methane
PubChem CID158977450
Molecular FormulaC20H27FN6O
Molecular Weight386.48 g/mol
Exact Mass386.22
IUPAC Name8-N-(2-fluorophenyl)-2-N-(oxan-4-yl)-9-propan-2-ylpurine-2,8-diamine;methane
SMILESC.CC(C)n1c(Nc2ccccc2F)nc2cnc(NC3CCOCC3)nc21
InChIInChI=1S/C19H23FN6O.CH4/c1-12(2)26-17-16(24-19(26)23-15-6-4-3-5-14(15)20)11-21-18(25-17)22-13-7-9-27-10-8-13;/h3-6,11-13H,7-10H2,1-2H3,(H,23,24)(H,21,22,25);1H4
InChIKeyJOOMIRBPQSKGHJ-UHFFFAOYSA-N
XLogP4.52
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-N-(2-fluorophenyl)-2-N-(oxan-4-yl)-9-propan-2-ylpurine-2,8-diamine;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-N-(2-fluorophenyl)-2-N-(1-phenylethyl)-9-propan-2-ylpurine-2,8-diamine;methane
CID 159045172
8-N-(2-fluorophenyl)-2-N-(4-methylcyclohexyl)-9-(2-methylpropyl)purine-2,8-diamine
CID 70991955
8-N-(2,6-difluorophenyl)-2-N-(oxan-4-yl)-9-[(3S)-oxolan-3-yl]purine-2,8-diamine;methane
CID 161099731
2-N-(4-aminocyclohexyl)-9-cyclopentyl-8-N-(2-fluorophenyl)purine-2,8-diamine
CID 57392289
2-N-cyclohexyl-8-N-(2,4-difluorophenyl)-9-[(3S)-oxolan-3-yl]purine-2,8-diamine
CID 70320390
2-(oxan-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 122178088
4-[8-(2,3-difluoroanilino)-2-(oxan-4-ylamino)purin-9-yl]cyclohexane-1-carboxamide
CID 121254300
4-[[8-(2-fluoroanilino)-9-(3-methyliminopropyl)purin-2-yl]amino]cyclohexan-1-ol
CID 130311368
N-[4-[[8-(2,6-difluoroanilino)-9-(oxan-4-yl)purin-2-yl]amino]cyclohexyl]methanesulfinamide
CID 143262171
9-cyclopentyl-8-N-(2-fluorophenyl)-2-N-(2-methylpropyl)purine-2,8-diamine;methane
CID 158512271
N-(2-fluorophenyl)oxan-4-amine
CID 43608428
N-[4-[8-(2-fluoroanilino)-2-[[4-(methanesulfonamido)cyclohexyl]amino]purin-9-yl]cyclohexyl]acetamide;methane
CID 159789351

Frequently Asked Questions

What is the IUPAC name of 8-N-(2-fluorophenyl)-2-N-(oxan-4-yl)-9-propan-2-ylpurine-2,8-diamine;methane?
The IUPAC name of 8-N-(2-fluorophenyl)-2-N-(oxan-4-yl)-9-propan-2-ylpurine-2,8-diamine;methane (CID 158977450) is 8-N-(2-fluorophenyl)-2-N-(oxan-4-yl)-9-propan-2-ylpurine-2,8-diamine;methane.
What is the SMILES notation for 8-N-(2-fluorophenyl)-2-N-(oxan-4-yl)-9-propan-2-ylpurine-2,8-diamine;methane?
The canonical SMILES for 8-N-(2-fluorophenyl)-2-N-(oxan-4-yl)-9-propan-2-ylpurine-2,8-diamine;methane is C.CC(C)n1c(Nc2ccccc2F)nc2cnc(NC3CCOCC3)nc21.
What is the InChIKey of 8-N-(2-fluorophenyl)-2-N-(oxan-4-yl)-9-propan-2-ylpurine-2,8-diamine;methane?
The InChIKey is JOOMIRBPQSKGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6O.CH4/c1-12(2)26-17-16(24-19(26)23-15-6-4-3-5-14(15)20)11-21-18(25-17)22-13-7-9-27-10-8-13;/h3-6,11-13H,7-10H2,1-2H3,(H,23,24)(H,21,22,25);1H4.
What are the key properties of 8-N-(2-fluorophenyl)-2-N-(oxan-4-yl)-9-propan-2-ylpurine-2,8-diamine;methane?
8-N-(2-fluorophenyl)-2-N-(oxan-4-yl)-9-propan-2-ylpurine-2,8-diamine;methane has a molecular weight of 386.48 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(2-fluorophenyl)-2-N-(oxan-4-yl)-9-propan-2-ylpurine-2,8-diamine;methane is sourced from PubChem (CID 158977450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).