1-(fluoromethyl)-3,6-dimethylpyrimidine-2,4-dione

C7H9FN2O2 — CID 67523102

IUPAC1-(fluoromethyl)-3,6-dimethylpyrimidine-2,4-dione
SMILESCc1cc(=O)n(C)c(=O)n1CF
InChIInChI=1S/C7H9FN2O2/c1-5-3-6(11)9(2)7(12)10(5)4-8/h3H,4H2,1-2H3
InChIKeyDFZVGAAWFQEKRR-UHFFFAOYSA-N
MW172.16 g/mol
LogP-0.22
Rot. Bonds1

About 1-(fluoromethyl)-3,6-dimethylpyrimidine-2,4-dione

1-(fluoromethyl)-3,6-dimethylpyrimidine-2,4-dione (PubChem CID 67523102) has the molecular formula C7H9FN2O2 and a molecular weight of 172.16 g/mol. Its IUPAC name is 1-(fluoromethyl)-3,6-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(fluoromethyl)-3,6-dimethylpyrimidine-2,4-dione
PubChem CID67523102
Molecular FormulaC7H9FN2O2
Molecular Weight172.16 g/mol
Exact Mass172.06
IUPAC Name1-(fluoromethyl)-3,6-dimethylpyrimidine-2,4-dione
SMILESCc1cc(=O)n(C)c(=O)n1CF
InChIInChI=1S/C7H9FN2O2/c1-5-3-6(11)9(2)7(12)10(5)4-8/h3H,4H2,1-2H3
InChIKeyDFZVGAAWFQEKRR-UHFFFAOYSA-N
XLogP-0.22
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-3,6-dimethylpyrimidine-2,4-dione?
The IUPAC name of 1-(fluoromethyl)-3,6-dimethylpyrimidine-2,4-dione (CID 67523102) is 1-(fluoromethyl)-3,6-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(fluoromethyl)-3,6-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 1-(fluoromethyl)-3,6-dimethylpyrimidine-2,4-dione is Cc1cc(=O)n(C)c(=O)n1CF.
What is the InChIKey of 1-(fluoromethyl)-3,6-dimethylpyrimidine-2,4-dione?
The InChIKey is DFZVGAAWFQEKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O2/c1-5-3-6(11)9(2)7(12)10(5)4-8/h3H,4H2,1-2H3.
What are the key properties of 1-(fluoromethyl)-3,6-dimethylpyrimidine-2,4-dione?
1-(fluoromethyl)-3,6-dimethylpyrimidine-2,4-dione has a molecular weight of 172.16 g/mol, XLogP of -0.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-3,6-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 67523102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).