4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]oxan-4-ol

C19H18ClFN4O2 — CID 166122294

IUPAC4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]oxan-4-ol
SMILESCc1nc2nc(C3(O)CCOCC3)nc(-c3ccc(Cl)cc3F)c2nc1C
InChIInChI=1S/C19H18ClFN4O2/c1-10-11(2)23-17-16(22-10)15(13-4-3-12(20)9-14(13)21)24-18(25-17)19(26)5-7-27-8-6-19/h3-4,9,26H,5-8H2,1-2H3
InChIKeyYXNYAZCKDARGDW-UHFFFAOYSA-N
MW388.83 g/mol
LogP3.49
Rot. Bonds2

About 4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]oxan-4-ol

4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]oxan-4-ol (PubChem CID 166122294) has the molecular formula C19H18ClFN4O2 and a molecular weight of 388.83 g/mol. Its IUPAC name is 4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]oxan-4-ol.

Molecular Properties

Compound Name4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]oxan-4-ol
PubChem CID166122294
Molecular FormulaC19H18ClFN4O2
Molecular Weight388.83 g/mol
Exact Mass388.11
IUPAC Name4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]oxan-4-ol
SMILESCc1nc2nc(C3(O)CCOCC3)nc(-c3ccc(Cl)cc3F)c2nc1C
InChIInChI=1S/C19H18ClFN4O2/c1-10-11(2)23-17-16(22-10)15(13-4-3-12(20)9-14(13)21)24-18(25-17)19(26)5-7-27-8-6-19/h3-4,9,26H,5-8H2,1-2H3
InChIKeyYXNYAZCKDARGDW-UHFFFAOYSA-N
XLogP3.49
TPSA81.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.83
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-chloro-2-fluorophenyl)-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethylpteridine
CID 157044679
4-(4-chloro-2-fluorophenyl)-2-cyclohexyl-6,7-dimethylpteridine
CID 166122261
4-(4-chloro-2-fluorophenyl)-2-[2-(1-cyclopropylpyrazol-4-yl)-4-methoxyoxan-4-yl]-6,7-dimethylpteridine
CID 166123216
4-(4-chloro-2-fluorophenyl)-2-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)-4-methoxyoxan-4-yl]-6,7-dimethylpteridine
CID 166121377
2-chloro-4-(4-chloro-2-methylphenyl)-6,7-dimethylpteridine
CID 157045018
2-[[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-[2-(oxolan-3-yl)ethyl]amino]ethanol
CID 157045745
4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]morpholine;(Z)-3-cyclopropyliminoprop-1-en-1-amine
CID 157044637
4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridine;1-methylpyrazole;oxane
CID 157044828
4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[(2R,4S)-2-(2-methylpyrimidin-5-yl)oxan-4-yl]pteridine
CID 157044476
4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[2-(2-methylpyrimidin-5-yl)oxan-4-yl]pteridine
CID 157045272
4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)morpholine
CID 166122956
4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-1,4-oxazepane
CID 166122258

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]oxan-4-ol?
The IUPAC name of 4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]oxan-4-ol (CID 166122294) is 4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]oxan-4-ol.
What is the SMILES notation for 4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]oxan-4-ol?
The canonical SMILES for 4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]oxan-4-ol is Cc1nc2nc(C3(O)CCOCC3)nc(-c3ccc(Cl)cc3F)c2nc1C.
What is the InChIKey of 4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]oxan-4-ol?
The InChIKey is YXNYAZCKDARGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN4O2/c1-10-11(2)23-17-16(22-10)15(13-4-3-12(20)9-14(13)21)24-18(25-17)19(26)5-7-27-8-6-19/h3-4,9,26H,5-8H2,1-2H3.
What are the key properties of 4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]oxan-4-ol?
4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]oxan-4-ol has a molecular weight of 388.83 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]oxan-4-ol is sourced from PubChem (CID 166122294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).