6-amino-1,3-dimethyl-5-[2-[methyl(3,3,3-trifluoropropyl)amino]acetyl]pyrimidine-2,4-dione

C12H17F3N4O3 — CID 86842736

IUPAC6-amino-1,3-dimethyl-5-[2-[methyl(3,3,3-trifluoropropyl)amino]acetyl]pyrimidine-2,4-dione
SMILESCN(CCC(F)(F)F)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C12H17F3N4O3/c1-17(5-4-12(13,14)15)6-7(20)8-9(16)18(2)11(22)19(3)10(8)21/h4-6,16H2,1-3H3
InChIKeyPPVXLFWGTMXQLW-UHFFFAOYSA-N
MW322.29 g/mol
LogP-0.27
Rot. Bonds5

About 6-amino-1,3-dimethyl-5-[2-[methyl(3,3,3-trifluoropropyl)amino]acetyl]pyrimidine-2,4-dione

6-amino-1,3-dimethyl-5-[2-[methyl(3,3,3-trifluoropropyl)amino]acetyl]pyrimidine-2,4-dione (PubChem CID 86842736) has the molecular formula C12H17F3N4O3 and a molecular weight of 322.29 g/mol. Its IUPAC name is 6-amino-1,3-dimethyl-5-[2-[methyl(3,3,3-trifluoropropyl)amino]acetyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1,3-dimethyl-5-[2-[methyl(3,3,3-trifluoropropyl)amino]acetyl]pyrimidine-2,4-dione
PubChem CID86842736
Molecular FormulaC12H17F3N4O3
Molecular Weight322.29 g/mol
Exact Mass322.13
IUPAC Name6-amino-1,3-dimethyl-5-[2-[methyl(3,3,3-trifluoropropyl)amino]acetyl]pyrimidine-2,4-dione
SMILESCN(CCC(F)(F)F)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C12H17F3N4O3/c1-17(5-4-12(13,14)15)6-7(20)8-9(16)18(2)11(22)19(3)10(8)21/h4-6,16H2,1-3H3
InChIKeyPPVXLFWGTMXQLW-UHFFFAOYSA-N
XLogP-0.27
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1,3-dimethyl-5-[2-[methyl(3,3,3-trifluoropropyl)amino]acetyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1,3-dimethyl-5-[2-[methyl(3,3,3-trifluoropropyl)amino]acetyl]pyrimidine-2,4-dione (CID 86842736) is 6-amino-1,3-dimethyl-5-[2-[methyl(3,3,3-trifluoropropyl)amino]acetyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1,3-dimethyl-5-[2-[methyl(3,3,3-trifluoropropyl)amino]acetyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1,3-dimethyl-5-[2-[methyl(3,3,3-trifluoropropyl)amino]acetyl]pyrimidine-2,4-dione is CN(CCC(F)(F)F)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-1,3-dimethyl-5-[2-[methyl(3,3,3-trifluoropropyl)amino]acetyl]pyrimidine-2,4-dione?
The InChIKey is PPVXLFWGTMXQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O3/c1-17(5-4-12(13,14)15)6-7(20)8-9(16)18(2)11(22)19(3)10(8)21/h4-6,16H2,1-3H3.
What are the key properties of 6-amino-1,3-dimethyl-5-[2-[methyl(3,3,3-trifluoropropyl)amino]acetyl]pyrimidine-2,4-dione?
6-amino-1,3-dimethyl-5-[2-[methyl(3,3,3-trifluoropropyl)amino]acetyl]pyrimidine-2,4-dione has a molecular weight of 322.29 g/mol, XLogP of -0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,3-dimethyl-5-[2-[methyl(3,3,3-trifluoropropyl)amino]acetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 86842736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).