1-methyl-1-[[(2R)-oxan-2-yl]methyl]-3-[[6-(trifluoromethyl)-2-pyridinyl]methyl]urea

C15H20F3N3O2 — CID 164638231

IUPAC1-methyl-1-[[(2R)-oxan-2-yl]methyl]-3-[[6-(trifluoromethyl)-2-pyridinyl]methyl]urea
SMILESCN(C[C@H]1CCCCO1)C(=O)NCc1cccc(C(F)(F)F)n1
InChIInChI=1S/C15H20F3N3O2/c1-21(10-12-6-2-3-8-23-12)14(22)19-9-11-5-4-7-13(20-11)15(16,17)18/h4-5,7,12H,2-3,6,8-10H2,1H3,(H,19,22)/t12-/m1/s1
InChIKeyGYUNGQGIOQOSSF-GFCCVEGCSA-N
MW331.34 g/mol
LogP2.81
Rot. Bonds4

About 1-methyl-1-[[(2R)-oxan-2-yl]methyl]-3-[[6-(trifluoromethyl)-2-pyridinyl]methyl]urea

1-methyl-1-[[(2R)-oxan-2-yl]methyl]-3-[[6-(trifluoromethyl)-2-pyridinyl]methyl]urea (PubChem CID 164638231) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 1-methyl-1-[[(2R)-oxan-2-yl]methyl]-3-[[6-(trifluoromethyl)-2-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-methyl-1-[[(2R)-oxan-2-yl]methyl]-3-[[6-(trifluoromethyl)-2-pyridinyl]methyl]urea
PubChem CID164638231
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC Name1-methyl-1-[[(2R)-oxan-2-yl]methyl]-3-[[6-(trifluoromethyl)-2-pyridinyl]methyl]urea
SMILESCN(C[C@H]1CCCCO1)C(=O)NCc1cccc(C(F)(F)F)n1
InChIInChI=1S/C15H20F3N3O2/c1-21(10-12-6-2-3-8-23-12)14(22)19-9-11-5-4-7-13(20-11)15(16,17)18/h4-5,7,12H,2-3,6,8-10H2,1H3,(H,19,22)/t12-/m1/s1
InChIKeyGYUNGQGIOQOSSF-GFCCVEGCSA-N
XLogP2.81
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-1-[[(2R)-oxan-2-yl]methyl]-3-[[6-(trifluoromethyl)-2-pyridinyl]methyl]urea with MolForge

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Related Compounds

1-methyl-1-(oxan-2-ylmethyl)-3-(1H-1,2,4-triazol-5-ylmethyl)urea
CID 121499289
6-chloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
CID 55052209
3-butyl-1-methyl-1-(oxan-2-ylmethyl)urea
CID 115589808
1-methyl-1-(oxan-2-ylmethyl)-3-[3-(trifluoromethylsulfanyl)phenyl]urea
CID 72849905
1-methyl-3-(oxan-2-ylmethyl)-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 128998483
N-[[6-[[methyl(oxan-2-ylmethyl)amino]methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106906089
N-methyl-N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 133271752
3-(3-acetylphenyl)-1-methyl-1-(oxan-2-ylmethyl)urea
CID 61174521
N-methyl-N-[[(2R)-oxan-2-yl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 124536730
3-amino-1-methyl-1-(oxan-2-ylmethyl)urea
CID 61436031
3-[2-(4-chlorophenyl)ethyl]-1-methyl-1-(oxan-2-ylmethyl)urea
CID 86826801
1-methyl-3-(1-naphthalen-1-ylethyl)-1-(oxan-2-ylmethyl)urea
CID 86826830

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[[(2R)-oxan-2-yl]methyl]-3-[[6-(trifluoromethyl)-2-pyridinyl]methyl]urea?
The IUPAC name of 1-methyl-1-[[(2R)-oxan-2-yl]methyl]-3-[[6-(trifluoromethyl)-2-pyridinyl]methyl]urea (CID 164638231) is 1-methyl-1-[[(2R)-oxan-2-yl]methyl]-3-[[6-(trifluoromethyl)-2-pyridinyl]methyl]urea.
What is the SMILES notation for 1-methyl-1-[[(2R)-oxan-2-yl]methyl]-3-[[6-(trifluoromethyl)-2-pyridinyl]methyl]urea?
The canonical SMILES for 1-methyl-1-[[(2R)-oxan-2-yl]methyl]-3-[[6-(trifluoromethyl)-2-pyridinyl]methyl]urea is CN(C[C@H]1CCCCO1)C(=O)NCc1cccc(C(F)(F)F)n1.
What is the InChIKey of 1-methyl-1-[[(2R)-oxan-2-yl]methyl]-3-[[6-(trifluoromethyl)-2-pyridinyl]methyl]urea?
The InChIKey is GYUNGQGIOQOSSF-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c1-21(10-12-6-2-3-8-23-12)14(22)19-9-11-5-4-7-13(20-11)15(16,17)18/h4-5,7,12H,2-3,6,8-10H2,1H3,(H,19,22)/t12-/m1/s1.
What are the key properties of 1-methyl-1-[[(2R)-oxan-2-yl]methyl]-3-[[6-(trifluoromethyl)-2-pyridinyl]methyl]urea?
1-methyl-1-[[(2R)-oxan-2-yl]methyl]-3-[[6-(trifluoromethyl)-2-pyridinyl]methyl]urea has a molecular weight of 331.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[[(2R)-oxan-2-yl]methyl]-3-[[6-(trifluoromethyl)-2-pyridinyl]methyl]urea is sourced from PubChem (CID 164638231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).