6-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-N-quinolin-6-yl-7H-purine-2,6-diamine

C24H22FN7 — CID 11553684

IUPAC6-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-N-quinolin-6-yl-7H-purine-2,6-diamine
SMILESCC(C)(Cc1ccc(F)cc1)Nc1nc(Nc2ccc3ncccc3c2)nc2nc[nH]c12
InChIInChI=1S/C24H22FN7/c1-24(2,13-15-5-7-17(25)8-6-15)32-22-20-21(28-14-27-20)30-23(31-22)29-18-9-10-19-16(12-18)4-3-11-26-19/h3-12,14H,13H2,1-2H3,(H3,27,28,29,30,31,32)
InChIKeyHGICSQOAYNISGA-UHFFFAOYSA-N
MW427.49 g/mol
LogP5.22
Rot. Bonds6

About 6-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-N-quinolin-6-yl-7H-purine-2,6-diamine

6-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-N-quinolin-6-yl-7H-purine-2,6-diamine (PubChem CID 11553684) has the molecular formula C24H22FN7 and a molecular weight of 427.49 g/mol. Its IUPAC name is 6-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-N-quinolin-6-yl-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-N-quinolin-6-yl-7H-purine-2,6-diamine
PubChem CID11553684
Molecular FormulaC24H22FN7
Molecular Weight427.49 g/mol
Exact Mass427.19
IUPAC Name6-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-N-quinolin-6-yl-7H-purine-2,6-diamine
SMILESCC(C)(Cc1ccc(F)cc1)Nc1nc(Nc2ccc3ncccc3c2)nc2nc[nH]c12
InChIInChI=1S/C24H22FN7/c1-24(2,13-15-5-7-17(25)8-6-15)32-22-20-21(28-14-27-20)30-23(31-22)29-18-9-10-19-16(12-18)4-3-11-26-19/h3-12,14H,13H2,1-2H3,(H3,27,28,29,30,31,32)
InChIKeyHGICSQOAYNISGA-UHFFFAOYSA-N
XLogP5.22
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.49
LogP ≤ 55.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-N-quinolin-6-yl-7H-purine-2,6-diamine with MolForge

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Related Compounds

2-N-quinolin-6-yl-7H-purine-2,6-diamine
CID 117084904
2-[[2-(quinolin-6-ylamino)-7H-purin-6-yl]amino]propan-1-ol
CID 25120412
N-[6-[(Z)-pent-2-en-3-yl]-7H-purin-2-yl]quinolin-6-amine
CID 148807468
2-N-ethyl-6-N-(4-fluorophenyl)-7H-purine-2,6-diamine
CID 114783490
2-(quinolin-6-ylamino)-1,7-dihydropurin-6-one
CID 135998458
6-N-cyclopropyl-2-N-quinolin-3-yl-7H-purine-2,6-diamine
CID 58774172
2-(quinolin-6-ylamino)pyridin-3-ol
CID 139352880
2-N-(2-chlorophenyl)-6-N-quinolin-3-yl-7H-purine-2,6-diamine
CID 155809030
2-N-ethyl-6-N-(4-ethylphenyl)-7H-purine-2,6-diamine
CID 114783510
6-N-(2,2,2-trifluoroethyl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]-7H-purine-2,6-diamine
CID 162677125
6-N-tert-butyl-2-N-(2-tert-butyl-1-benzothiophen-6-yl)-7H-purine-2,6-diamine
CID 11589290
N-[3-[[6-(2,2-dimethylpropylamino)-7H-purin-2-yl]amino]phenyl]methanesulfonamide
CID 69239763

Frequently Asked Questions

What is the IUPAC name of 6-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-N-quinolin-6-yl-7H-purine-2,6-diamine?
The IUPAC name of 6-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-N-quinolin-6-yl-7H-purine-2,6-diamine (CID 11553684) is 6-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-N-quinolin-6-yl-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-N-quinolin-6-yl-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-N-quinolin-6-yl-7H-purine-2,6-diamine is CC(C)(Cc1ccc(F)cc1)Nc1nc(Nc2ccc3ncccc3c2)nc2nc[nH]c12.
What is the InChIKey of 6-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-N-quinolin-6-yl-7H-purine-2,6-diamine?
The InChIKey is HGICSQOAYNISGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN7/c1-24(2,13-15-5-7-17(25)8-6-15)32-22-20-21(28-14-27-20)30-23(31-22)29-18-9-10-19-16(12-18)4-3-11-26-19/h3-12,14H,13H2,1-2H3,(H3,27,28,29,30,31,32).
What are the key properties of 6-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-N-quinolin-6-yl-7H-purine-2,6-diamine?
6-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-N-quinolin-6-yl-7H-purine-2,6-diamine has a molecular weight of 427.49 g/mol, XLogP of 5.22, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-N-quinolin-6-yl-7H-purine-2,6-diamine is sourced from PubChem (CID 11553684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).