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

C9H11F3N2O2 — CID 11172400

IUPAC1-methyl-3-propan-2-yl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCC(C)n1c(=O)cc(C(F)(F)F)n(C)c1=O
InChIInChI=1S/C9H11F3N2O2/c1-5(2)14-7(15)4-6(9(10,11)12)13(3)8(14)16/h4-5H,1-3H3
InChIKeyODOYZSNUARELFF-UHFFFAOYSA-N
MW236.19 g/mol
LogP1.15
Rot. Bonds1

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

1-methyl-3-propan-2-yl-6-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 11172400) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-6-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-6-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID11172400
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC Name1-methyl-3-propan-2-yl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCC(C)n1c(=O)cc(C(F)(F)F)n(C)c1=O
InChIInChI=1S/C9H11F3N2O2/c1-5(2)14-7(15)4-6(9(10,11)12)13(3)8(14)16/h4-5H,1-3H3
InChIKeyODOYZSNUARELFF-UHFFFAOYSA-N
XLogP1.15
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-methyl-3-propan-2-yl-6-(trifluoromethyl)pyrimidine-2,4-dione (CID 11172400) is 1-methyl-3-propan-2-yl-6-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-methyl-3-propan-2-yl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-methyl-3-propan-2-yl-6-(trifluoromethyl)pyrimidine-2,4-dione is CC(C)n1c(=O)cc(C(F)(F)F)n(C)c1=O.
What is the InChIKey of 1-methyl-3-propan-2-yl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is ODOYZSNUARELFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2/c1-5(2)14-7(15)4-6(9(10,11)12)13(3)8(14)16/h4-5H,1-3H3.
What are the key properties of 1-methyl-3-propan-2-yl-6-(trifluoromethyl)pyrimidine-2,4-dione?
1-methyl-3-propan-2-yl-6-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 236.19 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-6-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 11172400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).