1,3-dimethyl-6-(methylamino)-5-[1-(trifluoromethoxy)ethylamino]pyrimidine-2,4-dione

C10H15F3N4O3 — CID 130445931

IUPAC1,3-dimethyl-6-(methylamino)-5-[1-(trifluoromethoxy)ethylamino]pyrimidine-2,4-dione
SMILESCNc1c(NC(C)OC(F)(F)F)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C10H15F3N4O3/c1-5(20-10(11,12)13)15-6-7(14-2)16(3)9(19)17(4)8(6)18/h5,14-15H,1-4H3
InChIKeyIZGJDYKDZJLCJN-UHFFFAOYSA-N
MW296.25 g/mol
LogP0.42
Rot. Bonds4

About 1,3-dimethyl-6-(methylamino)-5-[1-(trifluoromethoxy)ethylamino]pyrimidine-2,4-dione

1,3-dimethyl-6-(methylamino)-5-[1-(trifluoromethoxy)ethylamino]pyrimidine-2,4-dione (PubChem CID 130445931) has the molecular formula C10H15F3N4O3 and a molecular weight of 296.25 g/mol. Its IUPAC name is 1,3-dimethyl-6-(methylamino)-5-[1-(trifluoromethoxy)ethylamino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-(methylamino)-5-[1-(trifluoromethoxy)ethylamino]pyrimidine-2,4-dione
PubChem CID130445931
Molecular FormulaC10H15F3N4O3
Molecular Weight296.25 g/mol
Exact Mass296.11
IUPAC Name1,3-dimethyl-6-(methylamino)-5-[1-(trifluoromethoxy)ethylamino]pyrimidine-2,4-dione
SMILESCNc1c(NC(C)OC(F)(F)F)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C10H15F3N4O3/c1-5(20-10(11,12)13)15-6-7(14-2)16(3)9(19)17(4)8(6)18/h5,14-15H,1-4H3
InChIKeyIZGJDYKDZJLCJN-UHFFFAOYSA-N
XLogP0.42
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-(methylamino)-5-[1-(trifluoromethoxy)ethylamino]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-(methylamino)-5-[1-(trifluoromethoxy)ethylamino]pyrimidine-2,4-dione (CID 130445931) is 1,3-dimethyl-6-(methylamino)-5-[1-(trifluoromethoxy)ethylamino]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-(methylamino)-5-[1-(trifluoromethoxy)ethylamino]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-(methylamino)-5-[1-(trifluoromethoxy)ethylamino]pyrimidine-2,4-dione is CNc1c(NC(C)OC(F)(F)F)c(=O)n(C)c(=O)n1C.
What is the InChIKey of 1,3-dimethyl-6-(methylamino)-5-[1-(trifluoromethoxy)ethylamino]pyrimidine-2,4-dione?
The InChIKey is IZGJDYKDZJLCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O3/c1-5(20-10(11,12)13)15-6-7(14-2)16(3)9(19)17(4)8(6)18/h5,14-15H,1-4H3.
What are the key properties of 1,3-dimethyl-6-(methylamino)-5-[1-(trifluoromethoxy)ethylamino]pyrimidine-2,4-dione?
1,3-dimethyl-6-(methylamino)-5-[1-(trifluoromethoxy)ethylamino]pyrimidine-2,4-dione has a molecular weight of 296.25 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-(methylamino)-5-[1-(trifluoromethoxy)ethylamino]pyrimidine-2,4-dione is sourced from PubChem (CID 130445931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).