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

C7H9FN2O2 — CID 139945928

IUPAC6-(fluoromethyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CF)cc(=O)n(C)c1=O
InChIInChI=1S/C7H9FN2O2/c1-9-5(4-8)3-6(11)10(2)7(9)12/h3H,4H2,1-2H3
InChIKeyGEUZQIRTXWMNNA-UHFFFAOYSA-N
MW172.16 g/mol
LogP-0.45
Rot. Bonds1

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

6-(fluoromethyl)-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 139945928) has the molecular formula C7H9FN2O2 and a molecular weight of 172.16 g/mol. Its IUPAC name is 6-(fluoromethyl)-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(fluoromethyl)-1,3-dimethylpyrimidine-2,4-dione
PubChem CID139945928
Molecular FormulaC7H9FN2O2
Molecular Weight172.16 g/mol
Exact Mass172.06
IUPAC Name6-(fluoromethyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CF)cc(=O)n(C)c1=O
InChIInChI=1S/C7H9FN2O2/c1-9-5(4-8)3-6(11)10(2)7(9)12/h3H,4H2,1-2H3
InChIKeyGEUZQIRTXWMNNA-UHFFFAOYSA-N
XLogP-0.45
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 ≤ 5-0.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,6-Trimethyl-2,4(1H,3H)-pyrimidinedione
CID 26075
2,4(1H,3H)-Pyrimidinedione, 3,6-dimethyl-
CID 88193
N(1),N(3)-Diallyl-6-methyluracil
CID 173882
2,4(1H,3H)-Pyrimidinedione, 3-ethyl-6-methyl-
CID 70505
1,6-Dimethyl-3-ethyluracil
CID 21627127
6-(Aminomethyl)-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 12328989
6-(Chloromethyl)-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 15210021
5-Fluoro-1,3,6-trimethyluracil
CID 129754172
1,6-Dimethyluracil
CID 10606818
1,3-Dimethyl-6-cyanouracil
CID 12205681
1,3-Diethyl-6-methyluracil
CID 12357931
6-Ethyl-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
CID 12955129

Frequently Asked Questions

What is the IUPAC name of 6-(fluoromethyl)-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-(fluoromethyl)-1,3-dimethylpyrimidine-2,4-dione (CID 139945928) is 6-(fluoromethyl)-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-(fluoromethyl)-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-(fluoromethyl)-1,3-dimethylpyrimidine-2,4-dione is Cn1c(CF)cc(=O)n(C)c1=O.
What is the InChIKey of 6-(fluoromethyl)-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is GEUZQIRTXWMNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O2/c1-9-5(4-8)3-6(11)10(2)7(9)12/h3H,4H2,1-2H3.
What are the key properties of 6-(fluoromethyl)-1,3-dimethylpyrimidine-2,4-dione?
6-(fluoromethyl)-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 172.16 g/mol, XLogP of -0.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(fluoromethyl)-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 139945928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).