4-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]morpholine

C15H16FN3O — CID 3590377

IUPAC4-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]morpholine
SMILESCc1nc(-c2ccccc2F)cc(N2CCOCC2)n1
InChIInChI=1S/C15H16FN3O/c1-11-17-14(12-4-2-3-5-13(12)16)10-15(18-11)19-6-8-20-9-7-19/h2-5,10H,6-9H2,1H3
InChIKeyNEKBSJKSQGJBIO-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.43
Rot. Bonds2

About 4-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]morpholine

4-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]morpholine (PubChem CID 3590377) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 4-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]morpholine
PubChem CID3590377
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name4-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]morpholine
SMILESCc1nc(-c2ccccc2F)cc(N2CCOCC2)n1
InChIInChI=1S/C15H16FN3O/c1-11-17-14(12-4-2-3-5-13(12)16)10-15(18-11)19-6-8-20-9-7-19/h2-5,10H,6-9H2,1H3
InChIKeyNEKBSJKSQGJBIO-UHFFFAOYSA-N
XLogP2.43
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]morpholine (CID 3590377) is 4-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]morpholine is Cc1nc(-c2ccccc2F)cc(N2CCOCC2)n1.
What is the InChIKey of 4-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]morpholine?
The InChIKey is NEKBSJKSQGJBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-11-17-14(12-4-2-3-5-13(12)16)10-15(18-11)19-6-8-20-9-7-19/h2-5,10H,6-9H2,1H3.
What are the key properties of 4-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]morpholine?
4-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]morpholine has a molecular weight of 273.31 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 3590377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).