4-[4-(2-fluorophenoxy)-6-(2-methylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine

C21H27FN4O2 — CID 46167060

IUPAC4-[4-(2-fluorophenoxy)-6-(2-methylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
SMILESCC(C)CN1CCc2nc(N3CCOCC3)nc(Oc3ccccc3F)c2C1
InChIInChI=1S/C21H27FN4O2/c1-15(2)13-25-8-7-18-16(14-25)20(28-19-6-4-3-5-17(19)22)24-21(23-18)26-9-11-27-12-10-26/h3-6,15H,7-14H2,1-2H3
InChIKeyUGRDQOBJOFNMRO-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.26
Rot. Bonds5

About 4-[4-(2-fluorophenoxy)-6-(2-methylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine

4-[4-(2-fluorophenoxy)-6-(2-methylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine (PubChem CID 46167060) has the molecular formula C21H27FN4O2 and a molecular weight of 386.47 g/mol. Its IUPAC name is 4-[4-(2-fluorophenoxy)-6-(2-methylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(2-fluorophenoxy)-6-(2-methylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
PubChem CID46167060
Molecular FormulaC21H27FN4O2
Molecular Weight386.47 g/mol
Exact Mass386.21
IUPAC Name4-[4-(2-fluorophenoxy)-6-(2-methylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
SMILESCC(C)CN1CCc2nc(N3CCOCC3)nc(Oc3ccccc3F)c2C1
InChIInChI=1S/C21H27FN4O2/c1-15(2)13-25-8-7-18-16(14-25)20(28-19-6-4-3-5-17(19)22)24-21(23-18)26-9-11-27-12-10-26/h3-6,15H,7-14H2,1-2H3
InChIKeyUGRDQOBJOFNMRO-UHFFFAOYSA-N
XLogP3.26
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenoxy)-6-(2-methylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-(2-fluorophenoxy)-6-(2-methylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine (CID 46167060) is 4-[4-(2-fluorophenoxy)-6-(2-methylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(2-fluorophenoxy)-6-(2-methylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-(2-fluorophenoxy)-6-(2-methylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine is CC(C)CN1CCc2nc(N3CCOCC3)nc(Oc3ccccc3F)c2C1.
What is the InChIKey of 4-[4-(2-fluorophenoxy)-6-(2-methylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?
The InChIKey is UGRDQOBJOFNMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O2/c1-15(2)13-25-8-7-18-16(14-25)20(28-19-6-4-3-5-17(19)22)24-21(23-18)26-9-11-27-12-10-26/h3-6,15H,7-14H2,1-2H3.
What are the key properties of 4-[4-(2-fluorophenoxy)-6-(2-methylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?
4-[4-(2-fluorophenoxy)-6-(2-methylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine has a molecular weight of 386.47 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenoxy)-6-(2-methylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 46167060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).