6-(1,1-difluoroethyl)-1-methylpyrimidine-2,4-dione

C7H8F2N2O2 — CID 166473593

IUPAC6-(1,1-difluoroethyl)-1-methylpyrimidine-2,4-dione
SMILESCn1c(C(C)(F)F)cc(=O)[nH]c1=O
InChIInChI=1S/C7H8F2N2O2/c1-7(8,9)4-3-5(12)10-6(13)11(4)2/h3H,1-2H3,(H,10,12,13)
InChIKeyHTVWBQFJIFCBKR-UHFFFAOYSA-N
MW190.15 g/mol
LogP0.19
Rot. Bonds1

About 6-(1,1-difluoroethyl)-1-methylpyrimidine-2,4-dione

6-(1,1-difluoroethyl)-1-methylpyrimidine-2,4-dione (PubChem CID 166473593) has the molecular formula C7H8F2N2O2 and a molecular weight of 190.15 g/mol. Its IUPAC name is 6-(1,1-difluoroethyl)-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(1,1-difluoroethyl)-1-methylpyrimidine-2,4-dione
PubChem CID166473593
Molecular FormulaC7H8F2N2O2
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC Name6-(1,1-difluoroethyl)-1-methylpyrimidine-2,4-dione
SMILESCn1c(C(C)(F)F)cc(=O)[nH]c1=O
InChIInChI=1S/C7H8F2N2O2/c1-7(8,9)4-3-5(12)10-6(13)11(4)2/h3H,1-2H3,(H,10,12,13)
InChIKeyHTVWBQFJIFCBKR-UHFFFAOYSA-N
XLogP0.19
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 246001
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CID 1472056
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CID 138756358
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CID 121206592
CID 121206592
CID 11435480
CID 11435480
CID 17778451
CID 17778451
CID 21824418
CID 21824418
CID 21824420
CID 21824420
CID 21824424
CID 21824424
CID 67562026
CID 67562026
CID 67696218
CID 67696218
CID 70127972
CID 70127972

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoroethyl)-1-methylpyrimidine-2,4-dione?
The IUPAC name of 6-(1,1-difluoroethyl)-1-methylpyrimidine-2,4-dione (CID 166473593) is 6-(1,1-difluoroethyl)-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-(1,1-difluoroethyl)-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-(1,1-difluoroethyl)-1-methylpyrimidine-2,4-dione is Cn1c(C(C)(F)F)cc(=O)[nH]c1=O.
What is the InChIKey of 6-(1,1-difluoroethyl)-1-methylpyrimidine-2,4-dione?
The InChIKey is HTVWBQFJIFCBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O2/c1-7(8,9)4-3-5(12)10-6(13)11(4)2/h3H,1-2H3,(H,10,12,13).
What are the key properties of 6-(1,1-difluoroethyl)-1-methylpyrimidine-2,4-dione?
6-(1,1-difluoroethyl)-1-methylpyrimidine-2,4-dione has a molecular weight of 190.15 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoroethyl)-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 166473593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).