1-(2-fluoro-3-hydroxypropyl)-5-methylpyrimidine-2,4-dione

C8H11FN2O3 — CID 15006316

IUPAC1-(2-fluoro-3-hydroxypropyl)-5-methylpyrimidine-2,4-dione
SMILESCc1cn(CC(F)CO)c(=O)[nH]c1=O
InChIInChI=1S/C8H11FN2O3/c1-5-2-11(3-6(9)4-12)8(14)10-7(5)13/h2,6,12H,3-4H2,1H3,(H,10,13,14)
InChIKeyITIJQYRIHCYMLE-UHFFFAOYSA-N
MW202.18 g/mol
LogP-0.82
Rot. Bonds3

About 1-(2-fluoro-3-hydroxypropyl)-5-methylpyrimidine-2,4-dione

1-(2-fluoro-3-hydroxypropyl)-5-methylpyrimidine-2,4-dione (PubChem CID 15006316) has the molecular formula C8H11FN2O3 and a molecular weight of 202.18 g/mol. Its IUPAC name is 1-(2-fluoro-3-hydroxypropyl)-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-fluoro-3-hydroxypropyl)-5-methylpyrimidine-2,4-dione
PubChem CID15006316
Molecular FormulaC8H11FN2O3
Molecular Weight202.18 g/mol
Exact Mass202.08
IUPAC Name1-(2-fluoro-3-hydroxypropyl)-5-methylpyrimidine-2,4-dione
SMILESCc1cn(CC(F)CO)c(=O)[nH]c1=O
InChIInChI=1S/C8H11FN2O3/c1-5-2-11(3-6(9)4-12)8(14)10-7(5)13/h2,6,12H,3-4H2,1H3,(H,10,13,14)
InChIKeyITIJQYRIHCYMLE-UHFFFAOYSA-N
XLogP-0.82
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-hydroxypropyl)-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-(2-fluoro-3-hydroxypropyl)-5-methylpyrimidine-2,4-dione (CID 15006316) is 1-(2-fluoro-3-hydroxypropyl)-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-fluoro-3-hydroxypropyl)-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-(2-fluoro-3-hydroxypropyl)-5-methylpyrimidine-2,4-dione is Cc1cn(CC(F)CO)c(=O)[nH]c1=O.
What is the InChIKey of 1-(2-fluoro-3-hydroxypropyl)-5-methylpyrimidine-2,4-dione?
The InChIKey is ITIJQYRIHCYMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O3/c1-5-2-11(3-6(9)4-12)8(14)10-7(5)13/h2,6,12H,3-4H2,1H3,(H,10,13,14).
What are the key properties of 1-(2-fluoro-3-hydroxypropyl)-5-methylpyrimidine-2,4-dione?
1-(2-fluoro-3-hydroxypropyl)-5-methylpyrimidine-2,4-dione has a molecular weight of 202.18 g/mol, XLogP of -0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-hydroxypropyl)-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 15006316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).