6-anilino-1,3-dimethyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione

C14H12F3N3O3 — CID 71819363

IUPAC6-anilino-1,3-dimethyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione
SMILESCn1c(Nc2ccccc2)c(C(=O)C(F)(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C14H12F3N3O3/c1-19-11(18-8-6-4-3-5-7-8)9(10(21)14(15,16)17)12(22)20(2)13(19)23/h3-7,18H,1-2H3
InChIKeyHRDZWRZCMVZYDV-UHFFFAOYSA-N
MW327.26 g/mol
LogP1.57
Rot. Bonds3

About 6-anilino-1,3-dimethyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione

6-anilino-1,3-dimethyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione (PubChem CID 71819363) has the molecular formula C14H12F3N3O3 and a molecular weight of 327.26 g/mol. Its IUPAC name is 6-anilino-1,3-dimethyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-anilino-1,3-dimethyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione
PubChem CID71819363
Molecular FormulaC14H12F3N3O3
Molecular Weight327.26 g/mol
Exact Mass327.08
IUPAC Name6-anilino-1,3-dimethyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione
SMILESCn1c(Nc2ccccc2)c(C(=O)C(F)(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C14H12F3N3O3/c1-19-11(18-8-6-4-3-5-7-8)9(10(21)14(15,16)17)12(22)20(2)13(19)23/h3-7,18H,1-2H3
InChIKeyHRDZWRZCMVZYDV-UHFFFAOYSA-N
XLogP1.57
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-anilino-3-methyl-1H-pyrimidine-2,4-dione
CID 777246
3-methyl-6-(methylamino)-1-phenylpyrimidine-2,4(1H,3H)-dione
CID 3549761
6-amino-1,3-dimethyl-5-[2-(N-methylanilino)acetyl]pyrimidine-2,4-dione
CID 2457625
2,4(1H,3H)-Pyrimidinedione, 3-methyl-6-(methylphenylamino)-
CID 181503
6-Anilino-1,3-dimethylpyrimidine-2,4-dione
CID 726711
6-Amino-3-methyl-1-phenylpyrimidine-2,4(1H,3H)-dione
CID 1649256
6-Amino-1-phenyl-1H-pyrimidine-2,4-dione
CID 702878
6-(methylanilino)-2,4(1H,3H)-pyrimidinedione
CID 309819
6-(Ethyl-phenyl-amino)-3-methyl-1H-pyrimidine-2,4-dione
CID 654311
6-amino-1-(3-fluorophenyl)pyrimidine-2,4(1H,3H)-dione
CID 1526900
5-(4-Fluoroanilino)-1,3-dimethyl-8-phenyl-1,2,3,4,7,8-hexahydropyrido[2,3-d]pyrimidine-2,4,7-trione
CID 2785962
2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
CID 4848846

Frequently Asked Questions

What is the IUPAC name of 6-anilino-1,3-dimethyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione?
The IUPAC name of 6-anilino-1,3-dimethyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione (CID 71819363) is 6-anilino-1,3-dimethyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-anilino-1,3-dimethyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-anilino-1,3-dimethyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione is Cn1c(Nc2ccccc2)c(C(=O)C(F)(F)F)c(=O)n(C)c1=O.
What is the InChIKey of 6-anilino-1,3-dimethyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione?
The InChIKey is HRDZWRZCMVZYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O3/c1-19-11(18-8-6-4-3-5-7-8)9(10(21)14(15,16)17)12(22)20(2)13(19)23/h3-7,18H,1-2H3.
What are the key properties of 6-anilino-1,3-dimethyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione?
6-anilino-1,3-dimethyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione has a molecular weight of 327.26 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-1,3-dimethyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione is sourced from PubChem (CID 71819363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).