6-amino-1,3-dimethyl-5-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]pyrimidine-2,4-dione

C14H13F3N4O4 — CID 26687187

IUPAC6-amino-1,3-dimethyl-5-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]pyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)Cn2cc(C(F)(F)F)ccc2=O)c(=O)n(C)c1=O
InChIInChI=1S/C14H13F3N4O4/c1-19-11(18)10(12(24)20(2)13(19)25)8(22)6-21-5-7(14(15,16)17)3-4-9(21)23/h3-5H,6,18H2,1-2H3
InChIKeyPAJIZZXYNRADCH-UHFFFAOYSA-N
MW358.28 g/mol
LogP-0.27
Rot. Bonds3

About 6-amino-1,3-dimethyl-5-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]pyrimidine-2,4-dione

6-amino-1,3-dimethyl-5-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]pyrimidine-2,4-dione (PubChem CID 26687187) has the molecular formula C14H13F3N4O4 and a molecular weight of 358.28 g/mol. Its IUPAC name is 6-amino-1,3-dimethyl-5-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1,3-dimethyl-5-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]pyrimidine-2,4-dione
PubChem CID26687187
Molecular FormulaC14H13F3N4O4
Molecular Weight358.28 g/mol
Exact Mass358.09
IUPAC Name6-amino-1,3-dimethyl-5-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]pyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)Cn2cc(C(F)(F)F)ccc2=O)c(=O)n(C)c1=O
InChIInChI=1S/C14H13F3N4O4/c1-19-11(18)10(12(24)20(2)13(19)25)8(22)6-21-5-7(14(15,16)17)3-4-9(21)23/h3-5H,6,18H2,1-2H3
InChIKeyPAJIZZXYNRADCH-UHFFFAOYSA-N
XLogP-0.27
TPSA109.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-amino-1,3-dimethyl-5-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]pyrimidine-2,4-dione with MolForge

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Related Compounds

6-amino-1,3-dimethyl-5-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetyl]pyrimidine-2,4-dione
CID 27243240
1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 7802599
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid
CID 702585
6-amino-1,3-dimethyl-5-[2-[3-(trifluoromethyl)phenoxy]acetyl]pyrimidine-2,4-dione
CID 16581259
1-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 7802597
1-[2-(aminomethyl)prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one
CID 103072409
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-pentan-2-yl]acetamide
CID 94177642
N-butyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 4826239
1-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 8001888
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 55315611
6-amino-5-[2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 24584616
(E)-2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile
CID 9334504

Frequently Asked Questions

What is the IUPAC name of 6-amino-1,3-dimethyl-5-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1,3-dimethyl-5-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]pyrimidine-2,4-dione (CID 26687187) is 6-amino-1,3-dimethyl-5-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1,3-dimethyl-5-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1,3-dimethyl-5-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]pyrimidine-2,4-dione is Cn1c(N)c(C(=O)Cn2cc(C(F)(F)F)ccc2=O)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-1,3-dimethyl-5-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]pyrimidine-2,4-dione?
The InChIKey is PAJIZZXYNRADCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O4/c1-19-11(18)10(12(24)20(2)13(19)25)8(22)6-21-5-7(14(15,16)17)3-4-9(21)23/h3-5H,6,18H2,1-2H3.
What are the key properties of 6-amino-1,3-dimethyl-5-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]pyrimidine-2,4-dione?
6-amino-1,3-dimethyl-5-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]pyrimidine-2,4-dione has a molecular weight of 358.28 g/mol, XLogP of -0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,3-dimethyl-5-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 26687187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).