ethane;1-(5-methylpyrimidin-2-yl)-3-(2,2,2-trifluoroethyl)urea

C10H15F3N4O — CID 155730485

IUPACethane;1-(5-methylpyrimidin-2-yl)-3-(2,2,2-trifluoroethyl)urea
SMILESCC.Cc1cnc(NC(=O)NCC(F)(F)F)nc1
InChIInChI=1S/C8H9F3N4O.C2H6/c1-5-2-12-6(13-3-5)15-7(16)14-4-8(9,10)11;1-2/h2-3H,4H2,1H3,(H2,12,13,14,15,16);1-2H3
InChIKeyYKBYNQQUSKZXRJ-UHFFFAOYSA-N
MW264.25 g/mol
LogP2.50
Rot. Bonds2

About ethane;1-(5-methylpyrimidin-2-yl)-3-(2,2,2-trifluoroethyl)urea

ethane;1-(5-methylpyrimidin-2-yl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 155730485) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is ethane;1-(5-methylpyrimidin-2-yl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Nameethane;1-(5-methylpyrimidin-2-yl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID155730485
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Nameethane;1-(5-methylpyrimidin-2-yl)-3-(2,2,2-trifluoroethyl)urea
SMILESCC.Cc1cnc(NC(=O)NCC(F)(F)F)nc1
InChIInChI=1S/C8H9F3N4O.C2H6/c1-5-2-12-6(13-3-5)15-7(16)14-4-8(9,10)11;1-2/h2-3H,4H2,1H3,(H2,12,13,14,15,16);1-2H3
InChIKeyYKBYNQQUSKZXRJ-UHFFFAOYSA-N
XLogP2.50
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(5-methylpyrimidin-2-yl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of ethane;1-(5-methylpyrimidin-2-yl)-3-(2,2,2-trifluoroethyl)urea (CID 155730485) is ethane;1-(5-methylpyrimidin-2-yl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for ethane;1-(5-methylpyrimidin-2-yl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for ethane;1-(5-methylpyrimidin-2-yl)-3-(2,2,2-trifluoroethyl)urea is CC.Cc1cnc(NC(=O)NCC(F)(F)F)nc1.
What is the InChIKey of ethane;1-(5-methylpyrimidin-2-yl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is YKBYNQQUSKZXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4O.C2H6/c1-5-2-12-6(13-3-5)15-7(16)14-4-8(9,10)11;1-2/h2-3H,4H2,1H3,(H2,12,13,14,15,16);1-2H3.
What are the key properties of ethane;1-(5-methylpyrimidin-2-yl)-3-(2,2,2-trifluoroethyl)urea?
ethane;1-(5-methylpyrimidin-2-yl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 264.25 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(5-methylpyrimidin-2-yl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 155730485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).