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

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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).