2-(4-fluorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine

C15H16FN3O2 — CID 56880270

IUPAC2-(4-fluorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine
SMILESCOc1cc(N2CCOC(c3ccc(F)cc3)C2)ncn1
InChIInChI=1S/C15H16FN3O2/c1-20-15-8-14(17-10-18-15)19-6-7-21-13(9-19)11-2-4-12(16)5-3-11/h2-5,8,10,13H,6-7,9H2,1H3
InChIKeyBCWCFHXKBHUCBB-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.20
Rot. Bonds3

About 2-(4-fluorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine

2-(4-fluorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine (PubChem CID 56880270) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine
PubChem CID56880270
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name2-(4-fluorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine
SMILESCOc1cc(N2CCOC(c3ccc(F)cc3)C2)ncn1
InChIInChI=1S/C15H16FN3O2/c1-20-15-8-14(17-10-18-15)19-6-7-21-13(9-19)11-2-4-12(16)5-3-11/h2-5,8,10,13H,6-7,9H2,1H3
InChIKeyBCWCFHXKBHUCBB-UHFFFAOYSA-N
XLogP2.20
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine?
The IUPAC name of 2-(4-fluorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine (CID 56880270) is 2-(4-fluorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine.
What is the SMILES notation for 2-(4-fluorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine?
The canonical SMILES for 2-(4-fluorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine is COc1cc(N2CCOC(c3ccc(F)cc3)C2)ncn1.
What is the InChIKey of 2-(4-fluorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine?
The InChIKey is BCWCFHXKBHUCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-20-15-8-14(17-10-18-15)19-6-7-21-13(9-19)11-2-4-12(16)5-3-11/h2-5,8,10,13H,6-7,9H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine?
2-(4-fluorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine has a molecular weight of 289.31 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine is sourced from PubChem (CID 56880270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).