1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]urea

C12H10F3N5O3 — CID 139596377

IUPAC1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]urea
SMILESCOc1cc(=O)[nH]c(N(C(N)=O)c2ncccc2C(F)(F)F)n1
InChIInChI=1S/C12H10F3N5O3/c1-23-8-5-7(21)18-11(19-8)20(10(16)22)9-6(12(13,14)15)3-2-4-17-9/h2-5H,1H3,(H2,16,22)(H,18,19,21)
InChIKeyODQHIYXSGHVKLC-UHFFFAOYSA-N
MW329.24 g/mol
LogP1.41
Rot. Bonds3

About 1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]urea

1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]urea (PubChem CID 139596377) has the molecular formula C12H10F3N5O3 and a molecular weight of 329.24 g/mol. Its IUPAC name is 1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]urea.

Molecular Properties

Compound Name1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]urea
PubChem CID139596377
Molecular FormulaC12H10F3N5O3
Molecular Weight329.24 g/mol
Exact Mass329.07
IUPAC Name1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]urea
SMILESCOc1cc(=O)[nH]c(N(C(N)=O)c2ncccc2C(F)(F)F)n1
InChIInChI=1S/C12H10F3N5O3/c1-23-8-5-7(21)18-11(19-8)20(10(16)22)9-6(12(13,14)15)3-2-4-17-9/h2-5H,1H3,(H2,16,22)(H,18,19,21)
InChIKeyODQHIYXSGHVKLC-UHFFFAOYSA-N
XLogP1.41
TPSA114.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Jnj-17203212
CID 11339118
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
Ethyl 4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate
CID 2928555
2-(Pyridin-3-yl)-6-(trifluoromethyl)pyrimidin-4-ol
CID 135410009
6-Methoxy-2-((3-(trifluoromethyl)pyridin-2-yl)amino)pyrimidin-4-ol
CID 57495160

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]urea?
The IUPAC name of 1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]urea (CID 139596377) is 1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]urea.
What is the SMILES notation for 1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]urea?
The canonical SMILES for 1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]urea is COc1cc(=O)[nH]c(N(C(N)=O)c2ncccc2C(F)(F)F)n1.
What is the InChIKey of 1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]urea?
The InChIKey is ODQHIYXSGHVKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N5O3/c1-23-8-5-7(21)18-11(19-8)20(10(16)22)9-6(12(13,14)15)3-2-4-17-9/h2-5H,1H3,(H2,16,22)(H,18,19,21).
What are the key properties of 1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]urea?
1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]urea has a molecular weight of 329.24 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]urea is sourced from PubChem (CID 139596377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).