4-[6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine

C13H14F3N5O — CID 11335968

IUPAC4-[6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
SMILESCc1cc(N2CCOCC2)nc(-n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C13H14F3N5O/c1-9-8-11(20-4-6-22-7-5-20)18-12(17-9)21-3-2-10(19-21)13(14,15)16/h2-3,8H,4-7H2,1H3
InChIKeyBBGSDNMUJDAGHQ-UHFFFAOYSA-N
MW313.28 g/mol
LogP1.83
Rot. Bonds2

About 4-[6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine

4-[6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine (PubChem CID 11335968) has the molecular formula C13H14F3N5O and a molecular weight of 313.28 g/mol. Its IUPAC name is 4-[6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
PubChem CID11335968
Molecular FormulaC13H14F3N5O
Molecular Weight313.28 g/mol
Exact Mass313.12
IUPAC Name4-[6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
SMILESCc1cc(N2CCOCC2)nc(-n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C13H14F3N5O/c1-9-8-11(20-4-6-22-7-5-20)18-12(17-9)21-3-2-10(19-21)13(14,15)16/h2-3,8H,4-7H2,1H3
InChIKeyBBGSDNMUJDAGHQ-UHFFFAOYSA-N
XLogP1.83
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine (CID 11335968) is 4-[6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine is Cc1cc(N2CCOCC2)nc(-n2ccc(C(F)(F)F)n2)n1.
What is the InChIKey of 4-[6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine?
The InChIKey is BBGSDNMUJDAGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5O/c1-9-8-11(20-4-6-22-7-5-20)18-12(17-9)21-3-2-10(19-21)13(14,15)16/h2-3,8H,4-7H2,1H3.
What are the key properties of 4-[6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine?
4-[6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine has a molecular weight of 313.28 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 11335968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).