4-(6-propan-2-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine

C12H16F3N3O — CID 56871724

IUPAC4-(6-propan-2-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine
SMILESCC(C)c1cc(N2CCOC(C(F)(F)F)C2)ncn1
InChIInChI=1S/C12H16F3N3O/c1-8(2)9-5-11(17-7-16-9)18-3-4-19-10(6-18)12(13,14)15/h5,7-8,10H,3-4,6H2,1-2H3
InChIKeyACDNJKVAGVLPQG-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.37
Rot. Bonds2

About 4-(6-propan-2-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine

4-(6-propan-2-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine (PubChem CID 56871724) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 4-(6-propan-2-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name4-(6-propan-2-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine
PubChem CID56871724
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name4-(6-propan-2-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine
SMILESCC(C)c1cc(N2CCOC(C(F)(F)F)C2)ncn1
InChIInChI=1S/C12H16F3N3O/c1-8(2)9-5-11(17-7-16-9)18-3-4-19-10(6-18)12(13,14)15/h5,7-8,10H,3-4,6H2,1-2H3
InChIKeyACDNJKVAGVLPQG-UHFFFAOYSA-N
XLogP2.37
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-propan-2-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine?
The IUPAC name of 4-(6-propan-2-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine (CID 56871724) is 4-(6-propan-2-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine.
What is the SMILES notation for 4-(6-propan-2-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine?
The canonical SMILES for 4-(6-propan-2-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine is CC(C)c1cc(N2CCOC(C(F)(F)F)C2)ncn1.
What is the InChIKey of 4-(6-propan-2-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine?
The InChIKey is ACDNJKVAGVLPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-8(2)9-5-11(17-7-16-9)18-3-4-19-10(6-18)12(13,14)15/h5,7-8,10H,3-4,6H2,1-2H3.
What are the key properties of 4-(6-propan-2-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine?
4-(6-propan-2-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine has a molecular weight of 275.27 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-propan-2-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 56871724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).