6-(dimethylamino)-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione

C13H14FN3O2 — CID 11086589

IUPAC6-(dimethylamino)-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione
SMILESCN(C)c1cc(=O)n(C)c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C13H14FN3O2/c1-15(2)11-8-12(18)16(3)13(19)17(11)10-6-4-9(14)5-7-10/h4-8H,1-3H3
InChIKeyGCOWZKGTWSPUBA-UHFFFAOYSA-N
MW263.27 g/mol
LogP0.74
Rot. Bonds2

About 6-(dimethylamino)-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione

6-(dimethylamino)-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione (PubChem CID 11086589) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 6-(dimethylamino)-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(dimethylamino)-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione
PubChem CID11086589
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name6-(dimethylamino)-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione
SMILESCN(C)c1cc(=O)n(C)c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C13H14FN3O2/c1-15(2)11-8-12(18)16(3)13(19)17(11)10-6-4-9(14)5-7-10/h4-8H,1-3H3
InChIKeyGCOWZKGTWSPUBA-UHFFFAOYSA-N
XLogP0.74
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione?
The IUPAC name of 6-(dimethylamino)-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione (CID 11086589) is 6-(dimethylamino)-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-(dimethylamino)-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-(dimethylamino)-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione is CN(C)c1cc(=O)n(C)c(=O)n1-c1ccc(F)cc1.
What is the InChIKey of 6-(dimethylamino)-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione?
The InChIKey is GCOWZKGTWSPUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-15(2)11-8-12(18)16(3)13(19)17(11)10-6-4-9(14)5-7-10/h4-8H,1-3H3.
What are the key properties of 6-(dimethylamino)-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione?
6-(dimethylamino)-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione has a molecular weight of 263.27 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 11086589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).