4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-1,4-oxazepane

C19H19F2N5O — CID 166122258

IUPAC4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-1,4-oxazepane
SMILESCc1nc2nc(N3CCCOCC3)nc(-c3ccc(F)cc3F)c2nc1C
InChIInChI=1S/C19H19F2N5O/c1-11-12(2)23-18-17(22-11)16(14-5-4-13(20)10-15(14)21)24-19(25-18)26-6-3-8-27-9-7-26/h4-5,10H,3,6-9H2,1-2H3
InChIKeyGOGRCFLPFLPWPR-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.21
Rot. Bonds2

About 4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-1,4-oxazepane

4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-1,4-oxazepane (PubChem CID 166122258) has the molecular formula C19H19F2N5O and a molecular weight of 371.39 g/mol. Its IUPAC name is 4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-1,4-oxazepane.

Molecular Properties

Compound Name4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-1,4-oxazepane
PubChem CID166122258
Molecular FormulaC19H19F2N5O
Molecular Weight371.39 g/mol
Exact Mass371.16
IUPAC Name4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-1,4-oxazepane
SMILESCc1nc2nc(N3CCCOCC3)nc(-c3ccc(F)cc3F)c2nc1C
InChIInChI=1S/C19H19F2N5O/c1-11-12(2)23-18-17(22-11)16(14-5-4-13(20)10-15(14)21)24-19(25-18)26-6-3-8-27-9-7-26/h4-5,10H,3,6-9H2,1-2H3
InChIKeyGOGRCFLPFLPWPR-UHFFFAOYSA-N
XLogP3.21
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

azetidine;4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methylmorpholine
CID 166121345
4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]morpholine;1-methylimidazole
CID 166122011
4-[6,7-dimethyl-4-(6-methyl-3-pyridinyl)pteridin-2-yl]morpholine
CID 157045468
4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]morpholine;(Z)-3-cyclopropyliminoprop-1-en-1-amine
CID 157044637
1-(difluoromethyl)pyrazole;4-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethylpteridin-2-yl]morpholine
CID 166122147
4-(4-chloro-2-fluorophenyl)-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethylpteridine
CID 157044679
4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methylmorpholine;1-(oxetan-3-ylmethyl)pyrazole
CID 166121288
1-[5-amino-6-(2,4-difluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]ethanone
CID 170711840
(Z)-2-[amino(cyclopropyl)amino]-1-[1-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]pyrrolidin-3-yl]ethenamine;methanol
CID 177137153
(R)-(1-cyclopropylpyrazol-4-yl)-[(2R)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]morpholin-2-yl]methanol
CID 166121533
(2R,6S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methyl-6-(1-methylpyrazol-4-yl)morpholine
CID 166121706
4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)morpholine
CID 166122956

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-1,4-oxazepane?
The IUPAC name of 4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-1,4-oxazepane (CID 166122258) is 4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-1,4-oxazepane.
What is the SMILES notation for 4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-1,4-oxazepane?
The canonical SMILES for 4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-1,4-oxazepane is Cc1nc2nc(N3CCCOCC3)nc(-c3ccc(F)cc3F)c2nc1C.
What is the InChIKey of 4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-1,4-oxazepane?
The InChIKey is GOGRCFLPFLPWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O/c1-11-12(2)23-18-17(22-11)16(14-5-4-13(20)10-15(14)21)24-19(25-18)26-6-3-8-27-9-7-26/h4-5,10H,3,6-9H2,1-2H3.
What are the key properties of 4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-1,4-oxazepane?
4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-1,4-oxazepane has a molecular weight of 371.39 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-1,4-oxazepane is sourced from PubChem (CID 166122258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).