5-amino-1-propyl-3-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione

C11H16F3N3O2 — CID 115513897

IUPAC5-amino-1-propyl-3-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione
SMILESCCCn1cc(N)c(=O)n(CCCC(F)(F)F)c1=O
InChIInChI=1S/C11H16F3N3O2/c1-2-5-16-7-8(15)9(18)17(10(16)19)6-3-4-11(12,13)14/h7H,2-6,15H2,1H3
InChIKeyLTKMCIVPTQZYMD-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.34
Rot. Bonds5

About 5-amino-1-propyl-3-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione

5-amino-1-propyl-3-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione (PubChem CID 115513897) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 5-amino-1-propyl-3-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1-propyl-3-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione
PubChem CID115513897
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC Name5-amino-1-propyl-3-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione
SMILESCCCn1cc(N)c(=O)n(CCCC(F)(F)F)c1=O
InChIInChI=1S/C11H16F3N3O2/c1-2-5-16-7-8(15)9(18)17(10(16)19)6-3-4-11(12,13)14/h7H,2-6,15H2,1H3
InChIKeyLTKMCIVPTQZYMD-UHFFFAOYSA-N
XLogP1.34
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-ethyl-3-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione
CID 64553758
4-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)butanenitrile
CID 55238426
5-amino-1-propyl-3-(2-propylsulfonylethyl)pyrimidine-2,4-dione
CID 106724722
5-amino-3-(cyclopropylmethyl)-1-propylpyrimidine-2,4-dione
CID 63800468
5-amino-3-[2-(3-methoxypropoxy)ethyl]-1-propylpyrimidine-2,4-dione
CID 103179648
5-amino-1-ethyl-3-(3-ethylsulfonylpropyl)pyrimidine-2,4-dione
CID 65093490
3-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)-2,2-dimethylpropanoic acid
CID 79623788
5-amino-1-ethyl-3-(3-ethylsulfanylpropyl)pyrimidine-2,4-dione
CID 113473562
5-amino-3-(2-ethylhexyl)-1-propylpyrimidine-2,4-dione
CID 63800991
5-amino-1-propyl-3-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione
CID 63799243
ethyl 2-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)acetate
CID 55240716
5-amino-1-ethyl-3-(2-methylsulfonylethyl)pyrimidine-2,4-dione
CID 63799404

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-propyl-3-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione?
The IUPAC name of 5-amino-1-propyl-3-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione (CID 115513897) is 5-amino-1-propyl-3-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1-propyl-3-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1-propyl-3-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione is CCCn1cc(N)c(=O)n(CCCC(F)(F)F)c1=O.
What is the InChIKey of 5-amino-1-propyl-3-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione?
The InChIKey is LTKMCIVPTQZYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c1-2-5-16-7-8(15)9(18)17(10(16)19)6-3-4-11(12,13)14/h7H,2-6,15H2,1H3.
What are the key properties of 5-amino-1-propyl-3-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione?
5-amino-1-propyl-3-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione has a molecular weight of 279.26 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-propyl-3-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione is sourced from PubChem (CID 115513897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).