5-fluoro-1-[3-(2-methoxyethylamino)propyl]pyrimidine-2,4-dione

C10H16FN3O3 — CID 55220473

IUPAC5-fluoro-1-[3-(2-methoxyethylamino)propyl]pyrimidine-2,4-dione
SMILESCOCCNCCCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H16FN3O3/c1-17-6-4-12-3-2-5-14-7-8(11)9(15)13-10(14)16/h7,12H,2-6H2,1H3,(H,13,15,16)
InChIKeySLQIVPWGCMWRBR-UHFFFAOYSA-N
MW245.25 g/mol
LogP-0.70
Rot. Bonds7

About 5-fluoro-1-[3-(2-methoxyethylamino)propyl]pyrimidine-2,4-dione

5-fluoro-1-[3-(2-methoxyethylamino)propyl]pyrimidine-2,4-dione (PubChem CID 55220473) has the molecular formula C10H16FN3O3 and a molecular weight of 245.25 g/mol. Its IUPAC name is 5-fluoro-1-[3-(2-methoxyethylamino)propyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-[3-(2-methoxyethylamino)propyl]pyrimidine-2,4-dione
PubChem CID55220473
Molecular FormulaC10H16FN3O3
Molecular Weight245.25 g/mol
Exact Mass245.12
IUPAC Name5-fluoro-1-[3-(2-methoxyethylamino)propyl]pyrimidine-2,4-dione
SMILESCOCCNCCCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H16FN3O3/c1-17-6-4-12-3-2-5-14-7-8(11)9(15)13-10(14)16/h7,12H,2-6H2,1H3,(H,13,15,16)
InChIKeySLQIVPWGCMWRBR-UHFFFAOYSA-N
XLogP-0.70
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[3-(2-methoxyethylamino)propyl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-[3-(2-methoxyethylamino)propyl]pyrimidine-2,4-dione (CID 55220473) is 5-fluoro-1-[3-(2-methoxyethylamino)propyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-[3-(2-methoxyethylamino)propyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-[3-(2-methoxyethylamino)propyl]pyrimidine-2,4-dione is COCCNCCCn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-1-[3-(2-methoxyethylamino)propyl]pyrimidine-2,4-dione?
The InChIKey is SLQIVPWGCMWRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O3/c1-17-6-4-12-3-2-5-14-7-8(11)9(15)13-10(14)16/h7,12H,2-6H2,1H3,(H,13,15,16).
What are the key properties of 5-fluoro-1-[3-(2-methoxyethylamino)propyl]pyrimidine-2,4-dione?
5-fluoro-1-[3-(2-methoxyethylamino)propyl]pyrimidine-2,4-dione has a molecular weight of 245.25 g/mol, XLogP of -0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[3-(2-methoxyethylamino)propyl]pyrimidine-2,4-dione is sourced from PubChem (CID 55220473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).