4-[6-(4-fluorophenyl)-2-(2,2,2-trifluoroethoxymethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine

C20H18F4N4O2 — CID 110172241

IUPAC4-[6-(4-fluorophenyl)-2-(2,2,2-trifluoroethoxymethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
SMILESFc1ccc(-c2ccc3nc(COCC(F)(F)F)nc(N4CCOCC4)c3n2)cc1
InChIInChI=1S/C20H18F4N4O2/c21-14-3-1-13(2-4-14)15-5-6-16-18(26-15)19(28-7-9-29-10-8-28)27-17(25-16)11-30-12-20(22,23)24/h1-6H,7-12H2
InChIKeyHNMLIDMGDDYPJS-UHFFFAOYSA-N
MW422.38 g/mol
LogP3.75
Rot. Bonds5

About 4-[6-(4-fluorophenyl)-2-(2,2,2-trifluoroethoxymethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine

4-[6-(4-fluorophenyl)-2-(2,2,2-trifluoroethoxymethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 110172241) has the molecular formula C20H18F4N4O2 and a molecular weight of 422.38 g/mol. Its IUPAC name is 4-[6-(4-fluorophenyl)-2-(2,2,2-trifluoroethoxymethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(4-fluorophenyl)-2-(2,2,2-trifluoroethoxymethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID110172241
Molecular FormulaC20H18F4N4O2
Molecular Weight422.38 g/mol
Exact Mass422.14
IUPAC Name4-[6-(4-fluorophenyl)-2-(2,2,2-trifluoroethoxymethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
SMILESFc1ccc(-c2ccc3nc(COCC(F)(F)F)nc(N4CCOCC4)c3n2)cc1
InChIInChI=1S/C20H18F4N4O2/c21-14-3-1-13(2-4-14)15-5-6-16-18(26-15)19(28-7-9-29-10-8-28)27-17(25-16)11-30-12-20(22,23)24/h1-6H,7-12H2
InChIKeyHNMLIDMGDDYPJS-UHFFFAOYSA-N
XLogP3.75
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.38
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-fluorophenyl)-2-(2,2,2-trifluoroethoxymethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(4-fluorophenyl)-2-(2,2,2-trifluoroethoxymethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine (CID 110172241) is 4-[6-(4-fluorophenyl)-2-(2,2,2-trifluoroethoxymethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(4-fluorophenyl)-2-(2,2,2-trifluoroethoxymethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(4-fluorophenyl)-2-(2,2,2-trifluoroethoxymethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine is Fc1ccc(-c2ccc3nc(COCC(F)(F)F)nc(N4CCOCC4)c3n2)cc1.
What is the InChIKey of 4-[6-(4-fluorophenyl)-2-(2,2,2-trifluoroethoxymethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is HNMLIDMGDDYPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4N4O2/c21-14-3-1-13(2-4-14)15-5-6-16-18(26-15)19(28-7-9-29-10-8-28)27-17(25-16)11-30-12-20(22,23)24/h1-6H,7-12H2.
What are the key properties of 4-[6-(4-fluorophenyl)-2-(2,2,2-trifluoroethoxymethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine?
4-[6-(4-fluorophenyl)-2-(2,2,2-trifluoroethoxymethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 422.38 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-fluorophenyl)-2-(2,2,2-trifluoroethoxymethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 110172241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).