1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidine-2,4-dione

C9H8F2N4O2 — CID 63811372

IUPAC1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidine-2,4-dione
SMILESO=c1ccn(Cc2nccn2C(F)F)c(=O)[nH]1
InChIInChI=1S/C9H8F2N4O2/c10-8(11)15-4-2-12-6(15)5-14-3-1-7(16)13-9(14)17/h1-4,8H,5H2,(H,13,16,17)
InChIKeyIKTLABBPLKUBRJ-UHFFFAOYSA-N
MW242.19 g/mol
LogP0.18
Rot. Bonds3

About 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidine-2,4-dione

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidine-2,4-dione (PubChem CID 63811372) has the molecular formula C9H8F2N4O2 and a molecular weight of 242.19 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidine-2,4-dione
PubChem CID63811372
Molecular FormulaC9H8F2N4O2
Molecular Weight242.19 g/mol
Exact Mass242.06
IUPAC Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidine-2,4-dione
SMILESO=c1ccn(Cc2nccn2C(F)F)c(=O)[nH]1
InChIInChI=1S/C9H8F2N4O2/c10-8(11)15-4-2-12-6(15)5-14-3-1-7(16)13-9(14)17/h1-4,8H,5H2,(H,13,16,17)
InChIKeyIKTLABBPLKUBRJ-UHFFFAOYSA-N
XLogP0.18
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.19
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidine-2,4-dione (CID 63811372) is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidine-2,4-dione is O=c1ccn(Cc2nccn2C(F)F)c(=O)[nH]1.
What is the InChIKey of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidine-2,4-dione?
The InChIKey is IKTLABBPLKUBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N4O2/c10-8(11)15-4-2-12-6(15)5-14-3-1-7(16)13-9(14)17/h1-4,8H,5H2,(H,13,16,17).
What are the key properties of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidine-2,4-dione?
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidine-2,4-dione has a molecular weight of 242.19 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 63811372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).