methyl 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxylate

C14H13F3N4O4 — CID 100975559

IUPACmethyl 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(F)(F)F)nc1Nc1nc(OC)cc(OC)n1
InChIInChI=1S/C14H13F3N4O4/c1-23-9-6-10(24-2)20-13(19-9)21-11-7(12(22)25-3)4-5-8(18-11)14(15,16)17/h4-6H,1-3H3,(H,18,19,20,21)
InChIKeyZLFZDEPCXDXHQA-UHFFFAOYSA-N
MW358.28 g/mol
LogP2.44
Rot. Bonds5

About methyl 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxylate

methyl 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 100975559) has the molecular formula C14H13F3N4O4 and a molecular weight of 358.28 g/mol. Its IUPAC name is methyl 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID100975559
Molecular FormulaC14H13F3N4O4
Molecular Weight358.28 g/mol
Exact Mass358.09
IUPAC Namemethyl 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(F)(F)F)nc1Nc1nc(OC)cc(OC)n1
InChIInChI=1S/C14H13F3N4O4/c1-23-9-6-10(24-2)20-13(19-9)21-11-7(12(22)25-3)4-5-8(18-11)14(15,16)17/h4-6H,1-3H3,(H,18,19,20,21)
InChIKeyZLFZDEPCXDXHQA-UHFFFAOYSA-N
XLogP2.44
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxylate with MolForge

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Related Compounds

Flupyrsulfuron-methyl
CID 170354
Flupyrsulfuron
CID 132910
Methyl 2-[carbamoyl-(4,6-dimethoxypyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxylate
CID 100975558
flupyrsulfuron-methyl TP4
CID 100975561
Flupyrsulfuron-methyl sodium
CID 15764724
N-(4,6-dimethoxypyrimidin-2-yl)-N'-[[3-methoxycarbonyl-6-(trifluoromethyl)-2-pyridinyl]sulfonyl]carbamimidate
CID 9604449
3-Pyridinecarboxylic acid, 2-(((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-6-(trifluoromethyl)-, methyl ester, sodium salt (1:1)
CID 44152368
2-[(4,6-Dimethoxypyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 90730436
1-(4,6-Dimethoxypyrimidine-2-yl)-7-trifluoromethylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 91140958
Methyl 2-[(4,6-dimethoxypyrimidin-2-yl)sulfanylmethyl]-6-(trifluoromethyl)pyridine-3-carboxylate
CID 18755510
2-[(4,6-Dimethoxypyrimidin-2-yl)sulfanylmethyl]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 18755521
1-(4,6-Dimethoxypyrimidin-2-yl)-3-sulfonylurea;methyl 6-(trifluoromethyl)pyridine-3-carboxylate
CID 22274933

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxylate (CID 100975559) is methyl 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxylate is COC(=O)c1ccc(C(F)(F)F)nc1Nc1nc(OC)cc(OC)n1.
What is the InChIKey of methyl 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is ZLFZDEPCXDXHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O4/c1-23-9-6-10(24-2)20-13(19-9)21-11-7(12(22)25-3)4-5-8(18-11)14(15,16)17/h4-6H,1-3H3,(H,18,19,20,21).
What are the key properties of methyl 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxylate?
methyl 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 358.28 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 100975559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).