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

C9H13FN2O5 — CID 557677

IUPAC1-[(4-fluoro-1,3-dihydroxybutan-2-yl)oxymethyl]pyrimidine-2,4-dione
SMILESO=c1ccn(COC(CO)C(O)CF)c(=O)[nH]1
InChIInChI=1S/C9H13FN2O5/c10-3-6(14)7(4-13)17-5-12-2-1-8(15)11-9(12)16/h1-2,6-7,13-14H,3-5H2,(H,11,15,16)
InChIKeyBHKXUFLZFNSUBI-UHFFFAOYSA-N
MW248.21 g/mol
LogP-1.80
Rot. Bonds6

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

1-[(4-fluoro-1,3-dihydroxybutan-2-yl)oxymethyl]pyrimidine-2,4-dione (PubChem CID 557677) has the molecular formula C9H13FN2O5 and a molecular weight of 248.21 g/mol. Its IUPAC name is 1-[(4-fluoro-1,3-dihydroxybutan-2-yl)oxymethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(4-fluoro-1,3-dihydroxybutan-2-yl)oxymethyl]pyrimidine-2,4-dione
PubChem CID557677
Molecular FormulaC9H13FN2O5
Molecular Weight248.21 g/mol
Exact Mass248.08
IUPAC Name1-[(4-fluoro-1,3-dihydroxybutan-2-yl)oxymethyl]pyrimidine-2,4-dione
SMILESO=c1ccn(COC(CO)C(O)CF)c(=O)[nH]1
InChIInChI=1S/C9H13FN2O5/c10-3-6(14)7(4-13)17-5-12-2-1-8(15)11-9(12)16/h1-2,6-7,13-14H,3-5H2,(H,11,15,16)
InChIKeyBHKXUFLZFNSUBI-UHFFFAOYSA-N
XLogP-1.80
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 5-1.80
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]pyrimidine-2,4-dione?
The IUPAC name of 1-[(4-fluoro-1,3-dihydroxybutan-2-yl)oxymethyl]pyrimidine-2,4-dione (CID 557677) is 1-[(4-fluoro-1,3-dihydroxybutan-2-yl)oxymethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(4-fluoro-1,3-dihydroxybutan-2-yl)oxymethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(4-fluoro-1,3-dihydroxybutan-2-yl)oxymethyl]pyrimidine-2,4-dione is O=c1ccn(COC(CO)C(O)CF)c(=O)[nH]1.
What is the InChIKey of 1-[(4-fluoro-1,3-dihydroxybutan-2-yl)oxymethyl]pyrimidine-2,4-dione?
The InChIKey is BHKXUFLZFNSUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O5/c10-3-6(14)7(4-13)17-5-12-2-1-8(15)11-9(12)16/h1-2,6-7,13-14H,3-5H2,(H,11,15,16).
What are the key properties of 1-[(4-fluoro-1,3-dihydroxybutan-2-yl)oxymethyl]pyrimidine-2,4-dione?
1-[(4-fluoro-1,3-dihydroxybutan-2-yl)oxymethyl]pyrimidine-2,4-dione has a molecular weight of 248.21 g/mol, XLogP of -1.80, 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]pyrimidine-2,4-dione is sourced from PubChem (CID 557677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).