3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-methylidene-1,3-diazinan-4-one

C13H15FN2O2 — CID 91097823

IUPAC3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-methylidene-1,3-diazinan-4-one
SMILESC=C1N(C)CC(O)C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C13H15FN2O2/c1-9-15(2)8-12(17)13(18)16(9)7-10-3-5-11(14)6-4-10/h3-6,12,17H,1,7-8H2,2H3
InChIKeyPFNAJMWYVDJKIL-UHFFFAOYSA-N
MW250.27 g/mol
LogP0.93
Rot. Bonds2

About 3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-methylidene-1,3-diazinan-4-one

3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-methylidene-1,3-diazinan-4-one (PubChem CID 91097823) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-methylidene-1,3-diazinan-4-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-methylidene-1,3-diazinan-4-one
PubChem CID91097823
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-methylidene-1,3-diazinan-4-one
SMILESC=C1N(C)CC(O)C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C13H15FN2O2/c1-9-15(2)8-12(17)13(18)16(9)7-10-3-5-11(14)6-4-10/h3-6,12,17H,1,7-8H2,2H3
InChIKeyPFNAJMWYVDJKIL-UHFFFAOYSA-N
XLogP0.93
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-methylidene-1,3-diazinan-4-one?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-methylidene-1,3-diazinan-4-one (CID 91097823) is 3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-methylidene-1,3-diazinan-4-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-methylidene-1,3-diazinan-4-one?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-methylidene-1,3-diazinan-4-one is C=C1N(C)CC(O)C(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-methylidene-1,3-diazinan-4-one?
The InChIKey is PFNAJMWYVDJKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-9-15(2)8-12(17)13(18)16(9)7-10-3-5-11(14)6-4-10/h3-6,12,17H,1,7-8H2,2H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-methylidene-1,3-diazinan-4-one?
3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-methylidene-1,3-diazinan-4-one has a molecular weight of 250.27 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-methylidene-1,3-diazinan-4-one is sourced from PubChem (CID 91097823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).