3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrimidine-2,4-dione

C12H12F3N3O3 — CID 146144073

IUPAC3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCc1nc(Cn2c(=O)c(C(F)(F)F)cn(C)c2=O)oc1C
InChIInChI=1S/C12H12F3N3O3/c1-6-7(2)21-9(16-6)5-18-10(19)8(12(13,14)15)4-17(3)11(18)20/h4H,5H2,1-3H3
InChIKeyDBBHBBVPUCYSOG-UHFFFAOYSA-N
MW303.24 g/mol
LogP1.22
Rot. Bonds2

About 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrimidine-2,4-dione

3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 146144073) has the molecular formula C12H12F3N3O3 and a molecular weight of 303.24 g/mol. Its IUPAC name is 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID146144073
Molecular FormulaC12H12F3N3O3
Molecular Weight303.24 g/mol
Exact Mass303.08
IUPAC Name3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCc1nc(Cn2c(=O)c(C(F)(F)F)cn(C)c2=O)oc1C
InChIInChI=1S/C12H12F3N3O3/c1-6-7(2)21-9(16-6)5-18-10(19)8(12(13,14)15)4-17(3)11(18)20/h4H,5H2,1-3H3
InChIKeyDBBHBBVPUCYSOG-UHFFFAOYSA-N
XLogP1.22
TPSA70.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrimidine-2,4-dione (CID 146144073) is 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrimidine-2,4-dione is Cc1nc(Cn2c(=O)c(C(F)(F)F)cn(C)c2=O)oc1C.
What is the InChIKey of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is DBBHBBVPUCYSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O3/c1-6-7(2)21-9(16-6)5-18-10(19)8(12(13,14)15)4-17(3)11(18)20/h4H,5H2,1-3H3.
What are the key properties of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrimidine-2,4-dione?
3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 303.24 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 146144073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).