1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea

C18H18F4N4O2 — CID 90634468

IUPAC1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccccc1C(F)(F)F)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C18H18F4N4O2/c19-11-9-23-17(24-10-11)28-13-7-5-12(6-8-13)25-16(27)26-15-4-2-1-3-14(15)18(20,21)22/h1-4,9-10,12-13H,5-8H2,(H2,25,26,27)
InChIKeyBQWJVUZXIICLHL-UHFFFAOYSA-N
MW398.36 g/mol
LogP4.15
Rot. Bonds4

About 1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea

1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 90634468) has the molecular formula C18H18F4N4O2 and a molecular weight of 398.36 g/mol. Its IUPAC name is 1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID90634468
Molecular FormulaC18H18F4N4O2
Molecular Weight398.36 g/mol
Exact Mass398.14
IUPAC Name1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccccc1C(F)(F)F)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C18H18F4N4O2/c19-11-9-23-17(24-10-11)28-13-7-5-12(6-8-13)25-16(27)26-15-4-2-1-3-14(15)18(20,21)22/h1-4,9-10,12-13H,5-8H2,(H2,25,26,27)
InChIKeyBQWJVUZXIICLHL-UHFFFAOYSA-N
XLogP4.15
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.36
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea with MolForge

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Related Compounds

1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-naphthalen-1-ylurea
CID 90634481
1-benzhydryl-3-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]urea
CID 90634472
1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-propan-2-ylurea
CID 90634473
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-2-carboxamide
CID 91626394
N-(4-pyrimidin-2-yloxycyclohexyl)-2-(trifluoromethyl)benzamide
CID 90633279
2-(2-fluorophenoxy)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 90634253
1-(4-oxocyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 61314248
1-naphthalen-1-yl-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633505
2-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634210
1-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-phenylurea
CID 90633954
4-pyrimidin-2-yloxy-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 90558855
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide
CID 91626381

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea (CID 90634468) is 1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea is O=C(Nc1ccccc1C(F)(F)F)NC1CCC(Oc2ncc(F)cn2)CC1.
What is the InChIKey of 1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is BQWJVUZXIICLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N4O2/c19-11-9-23-17(24-10-11)28-13-7-5-12(6-8-13)25-16(27)26-15-4-2-1-3-14(15)18(20,21)22/h1-4,9-10,12-13H,5-8H2,(H2,25,26,27).
What are the key properties of 1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea?
1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 398.36 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 90634468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).