6-[5-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-2-methyl-1,3-diazinan-4-one

C19H20F3N3O2 — CID 138403708

IUPAC6-[5-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-2-methyl-1,3-diazinan-4-one
SMILESCC1NC(=O)CC(c2cncc(C(C)(O)c3ccc(C(F)(F)F)cc3)c2)N1
InChIInChI=1S/C19H20F3N3O2/c1-11-24-16(8-17(26)25-11)12-7-15(10-23-9-12)18(2,27)13-3-5-14(6-4-13)19(20,21)22/h3-7,9-11,16,24,27H,8H2,1-2H3,(H,25,26)
InChIKeyCXXCNYPQRRPMHL-UHFFFAOYSA-N
MW379.38 g/mol
LogP2.85
Rot. Bonds3

About 6-[5-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-2-methyl-1,3-diazinan-4-one

6-[5-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-2-methyl-1,3-diazinan-4-one (PubChem CID 138403708) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is 6-[5-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-2-methyl-1,3-diazinan-4-one.

Molecular Properties

Compound Name6-[5-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-2-methyl-1,3-diazinan-4-one
PubChem CID138403708
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC Name6-[5-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-2-methyl-1,3-diazinan-4-one
SMILESCC1NC(=O)CC(c2cncc(C(C)(O)c3ccc(C(F)(F)F)cc3)c2)N1
InChIInChI=1S/C19H20F3N3O2/c1-11-24-16(8-17(26)25-11)12-7-15(10-23-9-12)18(2,27)13-3-5-14(6-4-13)19(20,21)22/h3-7,9-11,16,24,27H,8H2,1-2H3,(H,25,26)
InChIKeyCXXCNYPQRRPMHL-UHFFFAOYSA-N
XLogP2.85
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-2-methyl-1,3-diazinan-4-one?
The IUPAC name of 6-[5-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-2-methyl-1,3-diazinan-4-one (CID 138403708) is 6-[5-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-2-methyl-1,3-diazinan-4-one.
What is the SMILES notation for 6-[5-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-2-methyl-1,3-diazinan-4-one?
The canonical SMILES for 6-[5-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-2-methyl-1,3-diazinan-4-one is CC1NC(=O)CC(c2cncc(C(C)(O)c3ccc(C(F)(F)F)cc3)c2)N1.
What is the InChIKey of 6-[5-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-2-methyl-1,3-diazinan-4-one?
The InChIKey is CXXCNYPQRRPMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c1-11-24-16(8-17(26)25-11)12-7-15(10-23-9-12)18(2,27)13-3-5-14(6-4-13)19(20,21)22/h3-7,9-11,16,24,27H,8H2,1-2H3,(H,25,26).
What are the key properties of 6-[5-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-2-methyl-1,3-diazinan-4-one?
6-[5-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-2-methyl-1,3-diazinan-4-one has a molecular weight of 379.38 g/mol, XLogP of 2.85, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-2-methyl-1,3-diazinan-4-one is sourced from PubChem (CID 138403708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).