1-[3-(diethylamino)propyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione

C11H18FN3O3 — CID 112598581

IUPAC1-[3-(diethylamino)propyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione
SMILESCCN(CC)CCCn1c(O)c(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H18FN3O3/c1-3-14(4-2)6-5-7-15-10(17)8(12)9(16)13-11(15)18/h17H,3-7H2,1-2H3,(H,13,16,18)
InChIKeyNTKRCHGIABTMOR-UHFFFAOYSA-N
MW259.28 g/mol
LogP0.11
Rot. Bonds6

About 1-[3-(diethylamino)propyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione

1-[3-(diethylamino)propyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione (PubChem CID 112598581) has the molecular formula C11H18FN3O3 and a molecular weight of 259.28 g/mol. Its IUPAC name is 1-[3-(diethylamino)propyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-(diethylamino)propyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione
PubChem CID112598581
Molecular FormulaC11H18FN3O3
Molecular Weight259.28 g/mol
Exact Mass259.13
IUPAC Name1-[3-(diethylamino)propyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione
SMILESCCN(CC)CCCn1c(O)c(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H18FN3O3/c1-3-14(4-2)6-5-7-15-10(17)8(12)9(16)13-11(15)18/h17H,3-7H2,1-2H3,(H,13,16,18)
InChIKeyNTKRCHGIABTMOR-UHFFFAOYSA-N
XLogP0.11
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)propyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-[3-(diethylamino)propyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione (CID 112598581) is 1-[3-(diethylamino)propyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-(diethylamino)propyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-[3-(diethylamino)propyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione is CCN(CC)CCCn1c(O)c(F)c(=O)[nH]c1=O.
What is the InChIKey of 1-[3-(diethylamino)propyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The InChIKey is NTKRCHGIABTMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3O3/c1-3-14(4-2)6-5-7-15-10(17)8(12)9(16)13-11(15)18/h17H,3-7H2,1-2H3,(H,13,16,18).
What are the key properties of 1-[3-(diethylamino)propyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione?
1-[3-(diethylamino)propyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione has a molecular weight of 259.28 g/mol, XLogP of 0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)propyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 112598581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).