methyl 2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxylate

C13H11F3N4O4 — CID 100975561

IUPACmethyl 2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(F)(F)F)nc1Nc1nc(OC)cc(=O)[nH]1
InChIInChI=1S/C13H11F3N4O4/c1-23-9-5-8(21)18-12(19-9)20-10-6(11(22)24-2)3-4-7(17-10)13(14,15)16/h3-5H,1-2H3,(H2,17,18,19,20,21)
InChIKeyRRFKNCYLZXNGBH-UHFFFAOYSA-N
MW344.25 g/mol
LogP1.72
Rot. Bonds4

About methyl 2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxylate

methyl 2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 100975561) has the molecular formula C13H11F3N4O4 and a molecular weight of 344.25 g/mol. Its IUPAC name is methyl 2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID100975561
Molecular FormulaC13H11F3N4O4
Molecular Weight344.25 g/mol
Exact Mass344.07
IUPAC Namemethyl 2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(F)(F)F)nc1Nc1nc(OC)cc(=O)[nH]1
InChIInChI=1S/C13H11F3N4O4/c1-23-9-5-8(21)18-12(19-9)20-10-6(11(22)24-2)3-4-7(17-10)13(14,15)16/h3-5H,1-2H3,(H2,17,18,19,20,21)
InChIKeyRRFKNCYLZXNGBH-UHFFFAOYSA-N
XLogP1.72
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxylate with MolForge

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Related Compounds

Methyl 2-[carbamoyl-(4,6-dimethoxypyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxylate
CID 100975558
Methyl 2-({[(6-methyl-2-pyridinyl)amino]carbonyl}amino)benzoate
CID 6469333
Nicotinic acid, 6-methyl-2-(3'-trifluoromethylanilino)-
CID 41115
2-amino-6-(Trifluoromethyl)nicotinic acid
CID 11687107
Methyl 2-amino-6-methylpyridine-3-carboxylate
CID 13952721
Methyl 6-amino-2-methylpyridine-3-carboxylate
CID 55252884
Methyl 2-amino-6-(trifluoromethyl)nicotinate
CID 57671594
Methyl 2-amino-6-formylpyridine-3-carboxylate
CID 129919834
N-[3-(5-propyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]butanamide
CID 134143847
N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]propanamide
CID 134143904
Ethyl 2-amino-6-(trifluoromethyl)nicotinate
CID 53419445
2-(Methylamino)-6-(trifluoromethyl)pyridine-3-carboxylicacid
CID 79876961

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxylate (CID 100975561) is methyl 2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxylate is COC(=O)c1ccc(C(F)(F)F)nc1Nc1nc(OC)cc(=O)[nH]1.
What is the InChIKey of methyl 2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is RRFKNCYLZXNGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O4/c1-23-9-5-8(21)18-12(19-9)20-10-6(11(22)24-2)3-4-7(17-10)13(14,15)16/h3-5H,1-2H3,(H2,17,18,19,20,21).
What are the key properties of methyl 2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxylate?
methyl 2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 344.25 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 100975561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).