5-fluoro-1,3-dimethyl-6-[(4-methylphenyl)methyl]-1,3-diazinane-2,4-dione

C14H17FN2O2 — CID 10400573

IUPAC5-fluoro-1,3-dimethyl-6-[(4-methylphenyl)methyl]-1,3-diazinane-2,4-dione
SMILESCc1ccc(CC2C(F)C(=O)N(C)C(=O)N2C)cc1
InChIInChI=1S/C14H17FN2O2/c1-9-4-6-10(7-5-9)8-11-12(15)13(18)17(3)14(19)16(11)2/h4-7,11-12H,8H2,1-3H3
InChIKeySYFHRFPLARODSX-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.77
Rot. Bonds2

About 5-fluoro-1,3-dimethyl-6-[(4-methylphenyl)methyl]-1,3-diazinane-2,4-dione

5-fluoro-1,3-dimethyl-6-[(4-methylphenyl)methyl]-1,3-diazinane-2,4-dione (PubChem CID 10400573) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 5-fluoro-1,3-dimethyl-6-[(4-methylphenyl)methyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1,3-dimethyl-6-[(4-methylphenyl)methyl]-1,3-diazinane-2,4-dione
PubChem CID10400573
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name5-fluoro-1,3-dimethyl-6-[(4-methylphenyl)methyl]-1,3-diazinane-2,4-dione
SMILESCc1ccc(CC2C(F)C(=O)N(C)C(=O)N2C)cc1
InChIInChI=1S/C14H17FN2O2/c1-9-4-6-10(7-5-9)8-11-12(15)13(18)17(3)14(19)16(11)2/h4-7,11-12H,8H2,1-3H3
InChIKeySYFHRFPLARODSX-UHFFFAOYSA-N
XLogP1.77
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,3-dimethyl-6-[(4-methylphenyl)methyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 5-fluoro-1,3-dimethyl-6-[(4-methylphenyl)methyl]-1,3-diazinane-2,4-dione (CID 10400573) is 5-fluoro-1,3-dimethyl-6-[(4-methylphenyl)methyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-fluoro-1,3-dimethyl-6-[(4-methylphenyl)methyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-fluoro-1,3-dimethyl-6-[(4-methylphenyl)methyl]-1,3-diazinane-2,4-dione is Cc1ccc(CC2C(F)C(=O)N(C)C(=O)N2C)cc1.
What is the InChIKey of 5-fluoro-1,3-dimethyl-6-[(4-methylphenyl)methyl]-1,3-diazinane-2,4-dione?
The InChIKey is SYFHRFPLARODSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-9-4-6-10(7-5-9)8-11-12(15)13(18)17(3)14(19)16(11)2/h4-7,11-12H,8H2,1-3H3.
What are the key properties of 5-fluoro-1,3-dimethyl-6-[(4-methylphenyl)methyl]-1,3-diazinane-2,4-dione?
5-fluoro-1,3-dimethyl-6-[(4-methylphenyl)methyl]-1,3-diazinane-2,4-dione has a molecular weight of 264.30 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,3-dimethyl-6-[(4-methylphenyl)methyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 10400573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).