[(4-methoxypyrimidin-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl] N,N-dimethylcarbamate

C15H15F3N4O3 — CID 54515955

IUPAC[(4-methoxypyrimidin-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl] N,N-dimethylcarbamate
SMILESCOc1ncncc1C(OC(=O)N(C)C)c1cnccc1C(F)(F)F
InChIInChI=1S/C15H15F3N4O3/c1-22(2)14(23)25-12(10-7-20-8-21-13(10)24-3)9-6-19-5-4-11(9)15(16,17)18/h4-8,12H,1-3H3
InChIKeyYMKYOTXTQXEGRD-UHFFFAOYSA-N
MW356.30 g/mol
LogP2.69
Rot. Bonds4

About [(4-methoxypyrimidin-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl] N,N-dimethylcarbamate

[(4-methoxypyrimidin-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl] N,N-dimethylcarbamate (PubChem CID 54515955) has the molecular formula C15H15F3N4O3 and a molecular weight of 356.30 g/mol. Its IUPAC name is [(4-methoxypyrimidin-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[(4-methoxypyrimidin-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl] N,N-dimethylcarbamate
PubChem CID54515955
Molecular FormulaC15H15F3N4O3
Molecular Weight356.30 g/mol
Exact Mass356.11
IUPAC Name[(4-methoxypyrimidin-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl] N,N-dimethylcarbamate
SMILESCOc1ncncc1C(OC(=O)N(C)C)c1cnccc1C(F)(F)F
InChIInChI=1S/C15H15F3N4O3/c1-22(2)14(23)25-12(10-7-20-8-21-13(10)24-3)9-6-19-5-4-11(9)15(16,17)18/h4-8,12H,1-3H3
InChIKeyYMKYOTXTQXEGRD-UHFFFAOYSA-N
XLogP2.69
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(4-methoxypyrimidin-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl] N,N-dimethylcarbamate?
The IUPAC name of [(4-methoxypyrimidin-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl] N,N-dimethylcarbamate (CID 54515955) is [(4-methoxypyrimidin-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl] N,N-dimethylcarbamate.
What is the SMILES notation for [(4-methoxypyrimidin-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl] N,N-dimethylcarbamate?
The canonical SMILES for [(4-methoxypyrimidin-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl] N,N-dimethylcarbamate is COc1ncncc1C(OC(=O)N(C)C)c1cnccc1C(F)(F)F.
What is the InChIKey of [(4-methoxypyrimidin-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl] N,N-dimethylcarbamate?
The InChIKey is YMKYOTXTQXEGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O3/c1-22(2)14(23)25-12(10-7-20-8-21-13(10)24-3)9-6-19-5-4-11(9)15(16,17)18/h4-8,12H,1-3H3.
What are the key properties of [(4-methoxypyrimidin-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl] N,N-dimethylcarbamate?
[(4-methoxypyrimidin-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl] N,N-dimethylcarbamate has a molecular weight of 356.30 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-methoxypyrimidin-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl] N,N-dimethylcarbamate is sourced from PubChem (CID 54515955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).