2-[[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-[2-(oxolan-3-yl)ethyl]amino]ethanol

C22H25ClFN5O2 — CID 157045745

IUPAC2-[[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-[2-(oxolan-3-yl)ethyl]amino]ethanol
SMILESCc1nc2nc(N(CCO)CCC3CCOC3)nc(-c3ccc(Cl)cc3F)c2nc1C
InChIInChI=1S/C22H25ClFN5O2/c1-13-14(2)26-21-20(25-13)19(17-4-3-16(23)11-18(17)24)27-22(28-21)29(8-9-30)7-5-15-6-10-31-12-15/h3-4,11,15,30H,5-10,12H2,1-2H3
InChIKeyWCGBNPQFXVJGSK-UHFFFAOYSA-N
MW445.93 g/mol
LogP3.72
Rot. Bonds7

About 2-[[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-[2-(oxolan-3-yl)ethyl]amino]ethanol

2-[[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-[2-(oxolan-3-yl)ethyl]amino]ethanol (PubChem CID 157045745) has the molecular formula C22H25ClFN5O2 and a molecular weight of 445.93 g/mol. Its IUPAC name is 2-[[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-[2-(oxolan-3-yl)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-[2-(oxolan-3-yl)ethyl]amino]ethanol
PubChem CID157045745
Molecular FormulaC22H25ClFN5O2
Molecular Weight445.93 g/mol
Exact Mass445.17
IUPAC Name2-[[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-[2-(oxolan-3-yl)ethyl]amino]ethanol
SMILESCc1nc2nc(N(CCO)CCC3CCOC3)nc(-c3ccc(Cl)cc3F)c2nc1C
InChIInChI=1S/C22H25ClFN5O2/c1-13-14(2)26-21-20(25-13)19(17-4-3-16(23)11-18(17)24)27-22(28-21)29(8-9-30)7-5-15-6-10-31-12-15/h3-4,11,15,30H,5-10,12H2,1-2H3
InChIKeyWCGBNPQFXVJGSK-UHFFFAOYSA-N
XLogP3.72
TPSA84.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.93
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-[2-(oxolan-3-yl)ethyl]amino]ethanol with MolForge

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Related Compounds

4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]oxan-4-ol
CID 166122294
4-(4-chloro-2-fluorophenyl)-2-cyclohexyl-6,7-dimethylpteridine
CID 166122261
4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[2-(2-methylpyrimidin-5-yl)oxan-4-yl]pteridine
CID 157045272
1-[3-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-5-fluorophenyl]-N,N-dimethylazetidin-3-amine
CID 178120713
4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)morpholine
CID 166122956
4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]morpholine;(Z)-3-cyclopropyliminoprop-1-en-1-amine
CID 157044637
(2R)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-[(3S)-oxolan-3-yl]morpholine
CID 157045623
4-(2-fluoro-4-methylphenyl)-6,7-dimethyl-2-[3-(oxolan-3-yl)phenyl]pteridine
CID 178120692
4-(4-chloro-2-fluorophenyl)-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethylpteridine
CID 157044679
5-[4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-3,6-dihydro-2H-pyran-6-yl]-1-methylpyridin-2-one
CID 177138372
2-chloro-4-(4-chloro-2-methylphenyl)-6,7-dimethylpteridine
CID 157045018
8-(4-chloro-2-fluorophenyl)-3-methyl-6-(oxan-4-yl)pyrido[2,3-b]pyrazine
CID 157044867

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-[2-(oxolan-3-yl)ethyl]amino]ethanol?
The IUPAC name of 2-[[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-[2-(oxolan-3-yl)ethyl]amino]ethanol (CID 157045745) is 2-[[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-[2-(oxolan-3-yl)ethyl]amino]ethanol.
What is the SMILES notation for 2-[[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-[2-(oxolan-3-yl)ethyl]amino]ethanol?
The canonical SMILES for 2-[[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-[2-(oxolan-3-yl)ethyl]amino]ethanol is Cc1nc2nc(N(CCO)CCC3CCOC3)nc(-c3ccc(Cl)cc3F)c2nc1C.
What is the InChIKey of 2-[[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-[2-(oxolan-3-yl)ethyl]amino]ethanol?
The InChIKey is WCGBNPQFXVJGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFN5O2/c1-13-14(2)26-21-20(25-13)19(17-4-3-16(23)11-18(17)24)27-22(28-21)29(8-9-30)7-5-15-6-10-31-12-15/h3-4,11,15,30H,5-10,12H2,1-2H3.
What are the key properties of 2-[[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-[2-(oxolan-3-yl)ethyl]amino]ethanol?
2-[[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-[2-(oxolan-3-yl)ethyl]amino]ethanol has a molecular weight of 445.93 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-[2-(oxolan-3-yl)ethyl]amino]ethanol is sourced from PubChem (CID 157045745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).