4-[2-methyl-6-[2-methyl-4-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]morpholine

C15H16F3N5O — CID 143514854

IUPAC4-[2-methyl-6-[2-methyl-4-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]morpholine
SMILESCc1nc(-c2cnc(C)nc2C(F)(F)F)cc(N2CCOCC2)n1
InChIInChI=1S/C15H16F3N5O/c1-9-19-8-11(14(22-9)15(16,17)18)12-7-13(21-10(2)20-12)23-3-5-24-6-4-23/h7-8H,3-6H2,1-2H3
InChIKeyDZKVOQKMURNLRR-UHFFFAOYSA-N
MW339.32 g/mol
LogP2.41
Rot. Bonds2

About 4-[2-methyl-6-[2-methyl-4-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]morpholine

4-[2-methyl-6-[2-methyl-4-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]morpholine (PubChem CID 143514854) has the molecular formula C15H16F3N5O and a molecular weight of 339.32 g/mol. Its IUPAC name is 4-[2-methyl-6-[2-methyl-4-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-methyl-6-[2-methyl-4-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]morpholine
PubChem CID143514854
Molecular FormulaC15H16F3N5O
Molecular Weight339.32 g/mol
Exact Mass339.13
IUPAC Name4-[2-methyl-6-[2-methyl-4-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]morpholine
SMILESCc1nc(-c2cnc(C)nc2C(F)(F)F)cc(N2CCOCC2)n1
InChIInChI=1S/C15H16F3N5O/c1-9-19-8-11(14(22-9)15(16,17)18)12-7-13(21-10(2)20-12)23-3-5-24-6-4-23/h7-8H,3-6H2,1-2H3
InChIKeyDZKVOQKMURNLRR-UHFFFAOYSA-N
XLogP2.41
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-6-[2-methyl-4-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-methyl-6-[2-methyl-4-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]morpholine (CID 143514854) is 4-[2-methyl-6-[2-methyl-4-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-methyl-6-[2-methyl-4-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-methyl-6-[2-methyl-4-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]morpholine is Cc1nc(-c2cnc(C)nc2C(F)(F)F)cc(N2CCOCC2)n1.
What is the InChIKey of 4-[2-methyl-6-[2-methyl-4-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]morpholine?
The InChIKey is DZKVOQKMURNLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O/c1-9-19-8-11(14(22-9)15(16,17)18)12-7-13(21-10(2)20-12)23-3-5-24-6-4-23/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-[2-methyl-6-[2-methyl-4-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]morpholine?
4-[2-methyl-6-[2-methyl-4-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]morpholine has a molecular weight of 339.32 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-6-[2-methyl-4-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 143514854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).