1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-dione

C11H15F3N2O2 — CID 86294582

IUPAC1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCC(C)n1cc(C(F)(F)F)c(=O)n(C(C)C)c1=O
InChIInChI=1S/C11H15F3N2O2/c1-6(2)15-5-8(11(12,13)14)9(17)16(7(3)4)10(15)18/h5-7H,1-4H3
InChIKeyGCMODRGIHULDSU-UHFFFAOYSA-N
MW264.25 g/mol
LogP2.19
Rot. Bonds2

About 1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-dione

1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 86294582) has the molecular formula C11H15F3N2O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID86294582
Molecular FormulaC11H15F3N2O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC Name1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCC(C)n1cc(C(F)(F)F)c(=O)n(C(C)C)c1=O
InChIInChI=1S/C11H15F3N2O2/c1-6(2)15-5-8(11(12,13)14)9(17)16(7(3)4)10(15)18/h5-7H,1-4H3
InChIKeyGCMODRGIHULDSU-UHFFFAOYSA-N
XLogP2.19
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-dione (CID 86294582) is 1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-dione is CC(C)n1cc(C(F)(F)F)c(=O)n(C(C)C)c1=O.
What is the InChIKey of 1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is GCMODRGIHULDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2/c1-6(2)15-5-8(11(12,13)14)9(17)16(7(3)4)10(15)18/h5-7H,1-4H3.
What are the key properties of 1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-dione?
1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 264.25 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 86294582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).