4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)morpholine

C22H20ClFN6O2 — CID 166122956

IUPAC4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)morpholine
SMILESCc1cc(C2CN(c3nc(-c4ccc(Cl)cc4F)c4nc(C)c(C)nc4n3)CCO2)no1
InChIInChI=1S/C22H20ClFN6O2/c1-11-8-17(29-32-11)18-10-30(6-7-31-18)22-27-19(15-5-4-14(23)9-16(15)24)20-21(28-22)26-13(3)12(2)25-20/h4-5,8-9,18H,6-7,10H2,1-3H3
InChIKeyIIPFCFTVVZDKII-UHFFFAOYSA-N
MW454.89 g/mol
LogP4.37
Rot. Bonds3

About 4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)morpholine

4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)morpholine (PubChem CID 166122956) has the molecular formula C22H20ClFN6O2 and a molecular weight of 454.89 g/mol. Its IUPAC name is 4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)morpholine.

Molecular Properties

Compound Name4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)morpholine
PubChem CID166122956
Molecular FormulaC22H20ClFN6O2
Molecular Weight454.89 g/mol
Exact Mass454.13
IUPAC Name4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)morpholine
SMILESCc1cc(C2CN(c3nc(-c4ccc(Cl)cc4F)c4nc(C)c(C)nc4n3)CCO2)no1
InChIInChI=1S/C22H20ClFN6O2/c1-11-8-17(29-32-11)18-10-30(6-7-31-18)22-27-19(15-5-4-14(23)9-16(15)24)20-21(28-22)26-13(3)12(2)25-20/h4-5,8-9,18H,6-7,10H2,1-3H3
InChIKeyIIPFCFTVVZDKII-UHFFFAOYSA-N
XLogP4.37
TPSA90.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.89
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)morpholine?
The IUPAC name of 4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)morpholine (CID 166122956) is 4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)morpholine.
What is the SMILES notation for 4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)morpholine?
The canonical SMILES for 4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)morpholine is Cc1cc(C2CN(c3nc(-c4ccc(Cl)cc4F)c4nc(C)c(C)nc4n3)CCO2)no1.
What is the InChIKey of 4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)morpholine?
The InChIKey is IIPFCFTVVZDKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN6O2/c1-11-8-17(29-32-11)18-10-30(6-7-31-18)22-27-19(15-5-4-14(23)9-16(15)24)20-21(28-22)26-13(3)12(2)25-20/h4-5,8-9,18H,6-7,10H2,1-3H3.
What are the key properties of 4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)morpholine?
4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)morpholine has a molecular weight of 454.89 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)morpholine is sourced from PubChem (CID 166122956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).