1-[4-(6-methylpyrimidin-4-yl)oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea

C19H15F3N4O2 — CID 164619445

IUPAC1-[4-(6-methylpyrimidin-4-yl)oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCc1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ncn1
InChIInChI=1S/C19H15F3N4O2/c1-12-9-17(24-11-23-12)28-16-7-5-14(6-8-16)25-18(27)26-15-4-2-3-13(10-15)19(20,21)22/h2-11H,1H3,(H2,25,26,27)
InChIKeyGKEWVEBUWAKAFT-UHFFFAOYSA-N
MW388.35 g/mol
LogP5.24
Rot. Bonds4

About 1-[4-(6-methylpyrimidin-4-yl)oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea

1-[4-(6-methylpyrimidin-4-yl)oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 164619445) has the molecular formula C19H15F3N4O2 and a molecular weight of 388.35 g/mol. Its IUPAC name is 1-[4-(6-methylpyrimidin-4-yl)oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-(6-methylpyrimidin-4-yl)oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID164619445
Molecular FormulaC19H15F3N4O2
Molecular Weight388.35 g/mol
Exact Mass388.11
IUPAC Name1-[4-(6-methylpyrimidin-4-yl)oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCc1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ncn1
InChIInChI=1S/C19H15F3N4O2/c1-12-9-17(24-11-23-12)28-16-7-5-14(6-8-16)25-18(27)26-15-4-2-3-13(10-15)19(20,21)22/h2-11H,1H3,(H2,25,26,27)
InChIKeyGKEWVEBUWAKAFT-UHFFFAOYSA-N
XLogP5.24
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.35
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-methylpyrimidin-4-yl)oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[4-(6-methylpyrimidin-4-yl)oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 164619445) is 1-[4-(6-methylpyrimidin-4-yl)oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[4-(6-methylpyrimidin-4-yl)oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[4-(6-methylpyrimidin-4-yl)oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea is Cc1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ncn1.
What is the InChIKey of 1-[4-(6-methylpyrimidin-4-yl)oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is GKEWVEBUWAKAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2/c1-12-9-17(24-11-23-12)28-16-7-5-14(6-8-16)25-18(27)26-15-4-2-3-13(10-15)19(20,21)22/h2-11H,1H3,(H2,25,26,27).
What are the key properties of 1-[4-(6-methylpyrimidin-4-yl)oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea?
1-[4-(6-methylpyrimidin-4-yl)oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 388.35 g/mol, XLogP of 5.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-methylpyrimidin-4-yl)oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 164619445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).