1-fluoro-5-methylpyrimidine-2,4-dione

C5H5FN2O2 — CID 101251837

IUPAC1-fluoro-5-methylpyrimidine-2,4-dione
SMILESCc1cn(F)c(=O)[nH]c1=O
InChIInChI=1S/C5H5FN2O2/c1-3-2-8(6)5(10)7-4(3)9/h2H,1H3,(H,7,9,10)
InChIKeyCYORKXSGORTVRN-UHFFFAOYSA-N
MW144.10 g/mol
LogP-0.42
Rot. Bonds

About 1-fluoro-5-methylpyrimidine-2,4-dione

1-fluoro-5-methylpyrimidine-2,4-dione (PubChem CID 101251837) has the molecular formula C5H5FN2O2 and a molecular weight of 144.10 g/mol. Its IUPAC name is 1-fluoro-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-fluoro-5-methylpyrimidine-2,4-dione
PubChem CID101251837
Molecular FormulaC5H5FN2O2
Molecular Weight144.10 g/mol
Exact Mass144.03
IUPAC Name1-fluoro-5-methylpyrimidine-2,4-dione
SMILESCc1cn(F)c(=O)[nH]c1=O
InChIInChI=1S/C5H5FN2O2/c1-3-2-8(6)5(10)7-4(3)9/h2H,1H3,(H,7,9,10)
InChIKeyCYORKXSGORTVRN-UHFFFAOYSA-N
XLogP-0.42
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.10
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Thymine
CID 1135
Trifluoromethyluracil
CID 5899
1,5-Dimethyl-2,4(1H,3H)-pyrimidinedione
CID 95961
5-Ethyl-2,4(1H,3H)-pyrimidinedione
CID 73267
3,5-Dimethyl-2,4(1H,3H)-pyrimidinedione
CID 123209
N,N-Dimethylthymine
CID 78112
5-Fluoro-1-methyl-2,4(1H,3H)-pyrimidinedione
CID 78957
1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 235106
1-Acetyl-5-fluoro-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 277733
2,4(1H,3H)-Pyrimidinedione, 5-methyl-1-(2-propynyl)-
CID 489882
1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 12692638
5-(Aminomethyl)pyrimidine-2,4-diol hydrochloride
CID 54595486

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-fluoro-5-methylpyrimidine-2,4-dione (CID 101251837) is 1-fluoro-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-fluoro-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-fluoro-5-methylpyrimidine-2,4-dione is Cc1cn(F)c(=O)[nH]c1=O.
What is the InChIKey of 1-fluoro-5-methylpyrimidine-2,4-dione?
The InChIKey is CYORKXSGORTVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O2/c1-3-2-8(6)5(10)7-4(3)9/h2H,1H3,(H,7,9,10).
What are the key properties of 1-fluoro-5-methylpyrimidine-2,4-dione?
1-fluoro-5-methylpyrimidine-2,4-dione has a molecular weight of 144.10 g/mol, XLogP of -0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 101251837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).