1-cyclohexyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea;1H-pyrimidin-2-one

C22H28F3N5O3 — CID 145268895

IUPAC1-cyclohexyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea;1H-pyrimidin-2-one
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)NC1CCCCC1.O=c1nccc[nH]1
InChIInChI=1S/C18H24F3N3O2.C4H4N2O/c19-18(20,21)13-6-7-16(24-8-10-26-11-9-24)15(12-13)23-17(25)22-14-4-2-1-3-5-14;7-4-5-2-1-3-6-4/h6-7,12,14H,1-5,8-11H2,(H2,22,23,25);1-3H,(H,5,6,7)
InChIKeyIPIXASHKRPCFIP-UHFFFAOYSA-N
MW467.49 g/mol
LogP3.77
Rot. Bonds3

About 1-cyclohexyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea;1H-pyrimidin-2-one

1-cyclohexyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea;1H-pyrimidin-2-one (PubChem CID 145268895) has the molecular formula C22H28F3N5O3 and a molecular weight of 467.49 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea;1H-pyrimidin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea;1H-pyrimidin-2-one
PubChem CID145268895
Molecular FormulaC22H28F3N5O3
Molecular Weight467.49 g/mol
Exact Mass467.21
IUPAC Name1-cyclohexyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea;1H-pyrimidin-2-one
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)NC1CCCCC1.O=c1nccc[nH]1
InChIInChI=1S/C18H24F3N3O2.C4H4N2O/c19-18(20,21)13-6-7-16(24-8-10-26-11-9-24)15(12-13)23-17(25)22-14-4-2-1-3-5-14;7-4-5-2-1-3-6-4/h6-7,12,14H,1-5,8-11H2,(H2,22,23,25);1-3H,(H,5,6,7)
InChIKeyIPIXASHKRPCFIP-UHFFFAOYSA-N
XLogP3.77
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.49
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea;1H-pyrimidin-2-one?
The IUPAC name of 1-cyclohexyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea;1H-pyrimidin-2-one (CID 145268895) is 1-cyclohexyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea;1H-pyrimidin-2-one.
What is the SMILES notation for 1-cyclohexyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea;1H-pyrimidin-2-one?
The canonical SMILES for 1-cyclohexyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea;1H-pyrimidin-2-one is O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)NC1CCCCC1.O=c1nccc[nH]1.
What is the InChIKey of 1-cyclohexyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea;1H-pyrimidin-2-one?
The InChIKey is IPIXASHKRPCFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O2.C4H4N2O/c19-18(20,21)13-6-7-16(24-8-10-26-11-9-24)15(12-13)23-17(25)22-14-4-2-1-3-5-14;7-4-5-2-1-3-6-4/h6-7,12,14H,1-5,8-11H2,(H2,22,23,25);1-3H,(H,5,6,7).
What are the key properties of 1-cyclohexyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea;1H-pyrimidin-2-one?
1-cyclohexyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea;1H-pyrimidin-2-one has a molecular weight of 467.49 g/mol, XLogP of 3.77, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea;1H-pyrimidin-2-one is sourced from PubChem (CID 145268895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).