(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone

C16H15F3N4O2 — CID 56868856

IUPAC(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone
SMILESCc1nc(-c2cccnc2)ncc1C(=O)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C16H15F3N4O2/c1-10-12(8-21-14(22-10)11-3-2-4-20-7-11)15(24)23-5-6-25-13(9-23)16(17,18)19/h2-4,7-8,13H,5-6,9H2,1H3
InChIKeyQCGJMZUDDCPUOM-UHFFFAOYSA-N
MW352.32 g/mol
LogP2.25
Rot. Bonds2

About (4-methyl-2-pyridin-3-ylpyrimidin-5-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone

(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone (PubChem CID 56868856) has the molecular formula C16H15F3N4O2 and a molecular weight of 352.32 g/mol. Its IUPAC name is (4-methyl-2-pyridin-3-ylpyrimidin-5-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone
PubChem CID56868856
Molecular FormulaC16H15F3N4O2
Molecular Weight352.32 g/mol
Exact Mass352.11
IUPAC Name(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone
SMILESCc1nc(-c2cccnc2)ncc1C(=O)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C16H15F3N4O2/c1-10-12(8-21-14(22-10)11-3-2-4-20-7-11)15(24)23-5-6-25-13(9-23)16(17,18)19/h2-4,7-8,13H,5-6,9H2,1H3
InChIKeyQCGJMZUDDCPUOM-UHFFFAOYSA-N
XLogP2.25
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-pyridin-3-ylpyrimidin-5-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone?
The IUPAC name of (4-methyl-2-pyridin-3-ylpyrimidin-5-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone (CID 56868856) is (4-methyl-2-pyridin-3-ylpyrimidin-5-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (4-methyl-2-pyridin-3-ylpyrimidin-5-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone?
The canonical SMILES for (4-methyl-2-pyridin-3-ylpyrimidin-5-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone is Cc1nc(-c2cccnc2)ncc1C(=O)N1CCOC(C(F)(F)F)C1.
What is the InChIKey of (4-methyl-2-pyridin-3-ylpyrimidin-5-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone?
The InChIKey is QCGJMZUDDCPUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O2/c1-10-12(8-21-14(22-10)11-3-2-4-20-7-11)15(24)23-5-6-25-13(9-23)16(17,18)19/h2-4,7-8,13H,5-6,9H2,1H3.
What are the key properties of (4-methyl-2-pyridin-3-ylpyrimidin-5-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone?
(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone has a molecular weight of 352.32 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-pyridin-3-ylpyrimidin-5-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 56868856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).