3-amino-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

C6H6F3N3O2 — CID 142226617

IUPAC3-amino-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCn1c(C(F)(F)F)cc(=O)n(N)c1=O
InChIInChI=1S/C6H6F3N3O2/c1-11-3(6(7,8)9)2-4(13)12(10)5(11)14/h2H,10H2,1H3
InChIKeyDEKQALKEJWXVCC-UHFFFAOYSA-N
MW209.13 g/mol
LogP-0.72
Rot. Bonds

About 3-amino-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

3-amino-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 142226617) has the molecular formula C6H6F3N3O2 and a molecular weight of 209.13 g/mol. Its IUPAC name is 3-amino-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-amino-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID142226617
Molecular FormulaC6H6F3N3O2
Molecular Weight209.13 g/mol
Exact Mass209.04
IUPAC Name3-amino-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCn1c(C(F)(F)F)cc(=O)n(N)c1=O
InChIInChI=1S/C6H6F3N3O2/c1-11-3(6(7,8)9)2-4(13)12(10)5(11)14/h2H,10H2,1H3
InChIKeyDEKQALKEJWXVCC-UHFFFAOYSA-N
XLogP-0.72
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.13
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-amino-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (CID 142226617) is 3-amino-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-amino-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-amino-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is Cn1c(C(F)(F)F)cc(=O)n(N)c1=O.
What is the InChIKey of 3-amino-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is DEKQALKEJWXVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O2/c1-11-3(6(7,8)9)2-4(13)12(10)5(11)14/h2H,10H2,1H3.
What are the key properties of 3-amino-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
3-amino-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 209.13 g/mol, XLogP of -0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 142226617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).