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

C12H9F3N4O3 — CID 3319514

IUPAC1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(C(F)(F)F)c1)Nc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C12H9F3N4O3/c13-12(14,15)6-2-1-3-7(4-6)16-11(22)19-10-17-8(20)5-9(21)18-10/h1-5H,(H4,16,17,18,19,20,21,22)
InChIKeyFPZVLDNIQTVZBN-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.14
Rot. Bonds2

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

1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 3319514) has the molecular formula C12H9F3N4O3 and a molecular weight of 314.22 g/mol. Its IUPAC name is 1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID3319514
Molecular FormulaC12H9F3N4O3
Molecular Weight314.22 g/mol
Exact Mass314.06
IUPAC Name1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(C(F)(F)F)c1)Nc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C12H9F3N4O3/c13-12(14,15)6-2-1-3-7(4-6)16-11(22)19-10-17-8(20)5-9(21)18-10/h1-5H,(H4,16,17,18,19,20,21,22)
InChIKeyFPZVLDNIQTVZBN-UHFFFAOYSA-N
XLogP2.14
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 970620
1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea
CID 4106892
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
1-[3-(trifluoromethyl)phenyl]-3-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea
CID 90486688
1-[4-(3-methyl-6-oxo-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 141335945
1-(1H-benzimidazol-2-yl)-3-[3,5-bis(trifluoromethyl)phenyl]urea
CID 166873254
2-methyl-6-oxo-N-[3-(trifluoromethyl)phenyl]-1H-pyridine-4-carboxamide
CID 110698735
1-(2-sulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 108886280
1-[3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]urea
CID 2305670
1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 165053769
4-hydroxy-2-[3-(1,1,2,2-tetrafluoroethoxy)anilino]-1H-pyrimidin-6-one
CID 139976279
1-anilino-3-[3-(trifluoromethyl)phenyl]urea
CID 4549363

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-3-[3-(trifluoromethyl)phenyl]urea (CID 3319514) is 1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-3-[3-(trifluoromethyl)phenyl]urea is O=C(Nc1cccc(C(F)(F)F)c1)Nc1nc(O)cc(=O)[nH]1.
What is the InChIKey of 1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is FPZVLDNIQTVZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N4O3/c13-12(14,15)6-2-1-3-7(4-6)16-11(22)19-10-17-8(20)5-9(21)18-10/h1-5H,(H4,16,17,18,19,20,21,22).
What are the key properties of 1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-3-[3-(trifluoromethyl)phenyl]urea?
1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 314.22 g/mol, XLogP of 2.14, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 3319514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).