4-[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]morpholine

C10H12F3N3O — CID 130244152

IUPAC4-[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]morpholine
SMILESCc1cnc(N2CCOCC2)nc1C(F)(F)F
InChIInChI=1S/C10H12F3N3O/c1-7-6-14-9(15-8(7)10(11,12)13)16-2-4-17-5-3-16/h6H,2-5H2,1H3
InChIKeyCKYCIBGRRJRGGX-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.64
Rot. Bonds1

About 4-[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]morpholine

4-[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]morpholine (PubChem CID 130244152) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 4-[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]morpholine
PubChem CID130244152
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name4-[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]morpholine
SMILESCc1cnc(N2CCOCC2)nc1C(F)(F)F
InChIInChI=1S/C10H12F3N3O/c1-7-6-14-9(15-8(7)10(11,12)13)16-2-4-17-5-3-16/h6H,2-5H2,1H3
InChIKeyCKYCIBGRRJRGGX-UHFFFAOYSA-N
XLogP1.64
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]morpholine (CID 130244152) is 4-[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]morpholine is Cc1cnc(N2CCOCC2)nc1C(F)(F)F.
What is the InChIKey of 4-[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]morpholine?
The InChIKey is CKYCIBGRRJRGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c1-7-6-14-9(15-8(7)10(11,12)13)16-2-4-17-5-3-16/h6H,2-5H2,1H3.
What are the key properties of 4-[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]morpholine?
4-[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]morpholine has a molecular weight of 247.22 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 130244152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).