1-[(4-fluoro-1,3-dihydroxybutan-2-yl)oxymethyl]-5-methylpyrimidine-2,4-dione

C10H15FN2O5 — CID 581104

IUPAC1-[(4-fluoro-1,3-dihydroxybutan-2-yl)oxymethyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(COC(CO)C(O)CF)c(=O)[nH]c1=O
InChIInChI=1S/C10H15FN2O5/c1-6-3-13(10(17)12-9(6)16)5-18-8(4-14)7(15)2-11/h3,7-8,14-15H,2,4-5H2,1H3,(H,12,16,17)
InChIKeyVOPUKQLMATWJAL-UHFFFAOYSA-N
MW262.24 g/mol
LogP-1.49
Rot. Bonds6

About 1-[(4-fluoro-1,3-dihydroxybutan-2-yl)oxymethyl]-5-methylpyrimidine-2,4-dione

1-[(4-fluoro-1,3-dihydroxybutan-2-yl)oxymethyl]-5-methylpyrimidine-2,4-dione (PubChem CID 581104) has the molecular formula C10H15FN2O5 and a molecular weight of 262.24 g/mol. Its IUPAC name is 1-[(4-fluoro-1,3-dihydroxybutan-2-yl)oxymethyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(4-fluoro-1,3-dihydroxybutan-2-yl)oxymethyl]-5-methylpyrimidine-2,4-dione
PubChem CID581104
Molecular FormulaC10H15FN2O5
Molecular Weight262.24 g/mol
Exact Mass262.10
IUPAC Name1-[(4-fluoro-1,3-dihydroxybutan-2-yl)oxymethyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(COC(CO)C(O)CF)c(=O)[nH]c1=O
InChIInChI=1S/C10H15FN2O5/c1-6-3-13(10(17)12-9(6)16)5-18-8(4-14)7(15)2-11/h3,7-8,14-15H,2,4-5H2,1H3,(H,12,16,17)
InChIKeyVOPUKQLMATWJAL-UHFFFAOYSA-N
XLogP-1.49
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 5-1.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-1,3-dihydroxybutan-2-yl)oxymethyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(4-fluoro-1,3-dihydroxybutan-2-yl)oxymethyl]-5-methylpyrimidine-2,4-dione (CID 581104) is 1-[(4-fluoro-1,3-dihydroxybutan-2-yl)oxymethyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(4-fluoro-1,3-dihydroxybutan-2-yl)oxymethyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(4-fluoro-1,3-dihydroxybutan-2-yl)oxymethyl]-5-methylpyrimidine-2,4-dione is Cc1cn(COC(CO)C(O)CF)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(4-fluoro-1,3-dihydroxybutan-2-yl)oxymethyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is VOPUKQLMATWJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O5/c1-6-3-13(10(17)12-9(6)16)5-18-8(4-14)7(15)2-11/h3,7-8,14-15H,2,4-5H2,1H3,(H,12,16,17).
What are the key properties of 1-[(4-fluoro-1,3-dihydroxybutan-2-yl)oxymethyl]-5-methylpyrimidine-2,4-dione?
1-[(4-fluoro-1,3-dihydroxybutan-2-yl)oxymethyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 262.24 g/mol, XLogP of -1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-1,3-dihydroxybutan-2-yl)oxymethyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 581104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).