4-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]-1H-pyrimidin-6-one

C11H9F3N4O2 — CID 57495160

IUPAC4-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]-1H-pyrimidin-6-one
SMILESCOc1cc(=O)[nH]c(Nc2ncccc2C(F)(F)F)n1
InChIInChI=1S/C11H9F3N4O2/c1-20-8-5-7(19)16-10(17-8)18-9-6(11(12,13)14)3-2-4-15-9/h2-5H,1H3,(H2,15,16,17,18,19)
InChIKeyNTPGJDKROIVMPJ-UHFFFAOYSA-N
MW286.21 g/mol
LogP1.94
Rot. Bonds3

About 4-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]-1H-pyrimidin-6-one

4-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]-1H-pyrimidin-6-one (PubChem CID 57495160) has the molecular formula C11H9F3N4O2 and a molecular weight of 286.21 g/mol. Its IUPAC name is 4-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]-1H-pyrimidin-6-one
PubChem CID57495160
Molecular FormulaC11H9F3N4O2
Molecular Weight286.21 g/mol
Exact Mass286.07
IUPAC Name4-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]-1H-pyrimidin-6-one
SMILESCOc1cc(=O)[nH]c(Nc2ncccc2C(F)(F)F)n1
InChIInChI=1S/C11H9F3N4O2/c1-20-8-5-7(19)16-10(17-8)18-9-6(11(12,13)14)3-2-4-15-9/h2-5H,1H3,(H2,15,16,17,18,19)
InChIKeyNTPGJDKROIVMPJ-UHFFFAOYSA-N
XLogP1.94
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-Methoxy-6-oxo-1,6-dihydropyrimidin-2-yl)carbamoyl]-3-(trifluoromethyl)pyridine-2-sulfonamide
CID 139594374
2-Acetamidopyridine
CID 72929
N-(pyridin-2-yl)prop-2-enamide
CID 9920419
2-(Pivaloylamino)pyridine
CID 1051519
2-Acetylamino-3,3,3-trifluoro-2-(5-methyl-pyridin-2-ylamino)-propionic acid methyl ester
CID 609233
Methyl 2-acetamido-3,3,3-trifluoro-2-[(4-methylpyridin-2-yl)amino]propanoate
CID 3598834
1-[5-(Trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide
CID 2821933
1-(4-Fluorophenyl)-3-(5-methylpyridin-2-yl)urea
CID 701006
2-(Pyridin-3-yl)-6-(trifluoromethyl)pyrimidin-4-ol
CID 135410009
2-Acetamido-3-methylpyridine
CID 268295
2-Acetoacetamido-4-methylpyridine
CID 459529
N-(4-Methyl-2-pyridyl)acetamide
CID 220485

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]-1H-pyrimidin-6-one (CID 57495160) is 4-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]-1H-pyrimidin-6-one is COc1cc(=O)[nH]c(Nc2ncccc2C(F)(F)F)n1.
What is the InChIKey of 4-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]-1H-pyrimidin-6-one?
The InChIKey is NTPGJDKROIVMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O2/c1-20-8-5-7(19)16-10(17-8)18-9-6(11(12,13)14)3-2-4-15-9/h2-5H,1H3,(H2,15,16,17,18,19).
What are the key properties of 4-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]-1H-pyrimidin-6-one?
4-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]-1H-pyrimidin-6-one has a molecular weight of 286.21 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 57495160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).