4-[4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine

C14H16F3N5O — CID 44821621

IUPAC4-[4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine
SMILESCc1nn(C)cc1-c1cc(C(F)(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C14H16F3N5O/c1-9-10(8-21(2)20-9)11-7-12(14(15,16)17)19-13(18-11)22-3-5-23-6-4-22/h7-8H,3-6H2,1-2H3
InChIKeyLWNDALZKXNDIBG-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.04
Rot. Bonds2

About 4-[4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine

4-[4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine (PubChem CID 44821621) has the molecular formula C14H16F3N5O and a molecular weight of 327.31 g/mol. Its IUPAC name is 4-[4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine
PubChem CID44821621
Molecular FormulaC14H16F3N5O
Molecular Weight327.31 g/mol
Exact Mass327.13
IUPAC Name4-[4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine
SMILESCc1nn(C)cc1-c1cc(C(F)(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C14H16F3N5O/c1-9-10(8-21(2)20-9)11-7-12(14(15,16)17)19-13(18-11)22-3-5-23-6-4-22/h7-8H,3-6H2,1-2H3
InChIKeyLWNDALZKXNDIBG-UHFFFAOYSA-N
XLogP2.04
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine (CID 44821621) is 4-[4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine is Cc1nn(C)cc1-c1cc(C(F)(F)F)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine?
The InChIKey is LWNDALZKXNDIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O/c1-9-10(8-21(2)20-9)11-7-12(14(15,16)17)19-13(18-11)22-3-5-23-6-4-22/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-[4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine?
4-[4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine has a molecular weight of 327.31 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 44821621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).