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

C13H15FN4O2 — CID 11832731

IUPAC5-amino-6-(dimethylamino)-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione
SMILESCN(C)c1c(N)c(=O)n(C)c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C13H15FN4O2/c1-16(2)11-10(15)12(19)17(3)13(20)18(11)9-6-4-8(14)5-7-9/h4-7H,15H2,1-3H3
InChIKeyPFBLECKSETZEDC-UHFFFAOYSA-N
MW278.29 g/mol
LogP0.32
Rot. Bonds2

About 5-amino-6-(dimethylamino)-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione

5-amino-6-(dimethylamino)-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione (PubChem CID 11832731) has the molecular formula C13H15FN4O2 and a molecular weight of 278.29 g/mol. Its IUPAC name is 5-amino-6-(dimethylamino)-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-6-(dimethylamino)-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione
PubChem CID11832731
Molecular FormulaC13H15FN4O2
Molecular Weight278.29 g/mol
Exact Mass278.12
IUPAC Name5-amino-6-(dimethylamino)-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione
SMILESCN(C)c1c(N)c(=O)n(C)c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C13H15FN4O2/c1-16(2)11-10(15)12(19)17(3)13(20)18(11)9-6-4-8(14)5-7-9/h4-7H,15H2,1-3H3
InChIKeyPFBLECKSETZEDC-UHFFFAOYSA-N
XLogP0.32
TPSA73.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(dimethylamino)-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione?
The IUPAC name of 5-amino-6-(dimethylamino)-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione (CID 11832731) is 5-amino-6-(dimethylamino)-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-6-(dimethylamino)-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-amino-6-(dimethylamino)-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione is CN(C)c1c(N)c(=O)n(C)c(=O)n1-c1ccc(F)cc1.
What is the InChIKey of 5-amino-6-(dimethylamino)-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione?
The InChIKey is PFBLECKSETZEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O2/c1-16(2)11-10(15)12(19)17(3)13(20)18(11)9-6-4-8(14)5-7-9/h4-7H,15H2,1-3H3.
What are the key properties of 5-amino-6-(dimethylamino)-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione?
5-amino-6-(dimethylamino)-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione has a molecular weight of 278.29 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(dimethylamino)-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 11832731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).