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

C6H5F3N4O2 — CID 135446460

IUPAC[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]urea
SMILESNC(=O)Nc1nc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C6H5F3N4O2/c7-6(8,9)2-1-3(14)12-5(11-2)13-4(10)15/h1H,(H4,10,11,12,13,14,15)
InChIKeyYZEMRFWLBLBQLO-UHFFFAOYSA-N
MW222.13 g/mol
LogP0.28
Rot. Bonds1

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

[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]urea (PubChem CID 135446460) has the molecular formula C6H5F3N4O2 and a molecular weight of 222.13 g/mol. Its IUPAC name is [6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]urea.

Molecular Properties

Compound Name[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]urea
PubChem CID135446460
Molecular FormulaC6H5F3N4O2
Molecular Weight222.13 g/mol
Exact Mass222.04
IUPAC Name[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]urea
SMILESNC(=O)Nc1nc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C6H5F3N4O2/c7-6(8,9)2-1-3(14)12-5(11-2)13-4(10)15/h1H,(H4,10,11,12,13,14,15)
InChIKeyYZEMRFWLBLBQLO-UHFFFAOYSA-N
XLogP0.28
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.13
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]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

2-Cyanoamino-4-Hydroxy-6-Methylpyrimidine
CID 135454173
2-Amino-4-hydroxy-6-trifluoromethylpyrimidine
CID 135418580
2-(Dimethylamino)-6-(trifluoromethyl)pyrimidin-4(1H)-one
CID 135472882
N-(4-hydroxy-6-methylpyrimidin-2-yl)acetamide
CID 135455254
2-Amino-6-(fluoromethyl)pyrimidin-4(1h)-one
CID 135527970
2-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]guanidine
CID 136501118
2-(Ethylamino)-6-(trifluoromethyl)-4-pyrimidinol
CID 135484722
N-[6-oxo-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]thiourea
CID 135494826
2-(Methylamino)-6-(trifluoromethyl)pyrimidin-4-ol
CID 135829729
1-(difluoromethyl)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
CID 136072813
2-hydrazinyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136107887
2-Amino-6-(difluoromethyl)pyrimidin-4-ol
CID 136176622

Frequently Asked Questions

What is the IUPAC name of [6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]urea?
The IUPAC name of [6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]urea (CID 135446460) is [6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]urea.
What is the SMILES notation for [6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]urea?
The canonical SMILES for [6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]urea is NC(=O)Nc1nc(C(F)(F)F)cc(=O)[nH]1.
What is the InChIKey of [6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]urea?
The InChIKey is YZEMRFWLBLBQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N4O2/c7-6(8,9)2-1-3(14)12-5(11-2)13-4(10)15/h1H,(H4,10,11,12,13,14,15).
What are the key properties of [6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]urea?
[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]urea has a molecular weight of 222.13 g/mol, XLogP of 0.28, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]urea is sourced from PubChem (CID 135446460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).