5-fluoro-3-(morpholin-4-ylmethyl)-1-(oxolan-2-yl)pyrimidine-2,4-dione

C13H18FN3O4 — CID 59149455

IUPAC5-fluoro-3-(morpholin-4-ylmethyl)-1-(oxolan-2-yl)pyrimidine-2,4-dione
SMILESO=c1c(F)cn(C2CCCO2)c(=O)n1CN1CCOCC1
InChIInChI=1S/C13H18FN3O4/c14-10-8-16(11-2-1-5-21-11)13(19)17(12(10)18)9-15-3-6-20-7-4-15/h8,11H,1-7,9H2
InChIKeyHJTPXFHAHPJCHM-UHFFFAOYSA-N
MW299.30 g/mol
LogP-0.25
Rot. Bonds3

About 5-fluoro-3-(morpholin-4-ylmethyl)-1-(oxolan-2-yl)pyrimidine-2,4-dione

5-fluoro-3-(morpholin-4-ylmethyl)-1-(oxolan-2-yl)pyrimidine-2,4-dione (PubChem CID 59149455) has the molecular formula C13H18FN3O4 and a molecular weight of 299.30 g/mol. Its IUPAC name is 5-fluoro-3-(morpholin-4-ylmethyl)-1-(oxolan-2-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-3-(morpholin-4-ylmethyl)-1-(oxolan-2-yl)pyrimidine-2,4-dione
PubChem CID59149455
Molecular FormulaC13H18FN3O4
Molecular Weight299.30 g/mol
Exact Mass299.13
IUPAC Name5-fluoro-3-(morpholin-4-ylmethyl)-1-(oxolan-2-yl)pyrimidine-2,4-dione
SMILESO=c1c(F)cn(C2CCCO2)c(=O)n1CN1CCOCC1
InChIInChI=1S/C13H18FN3O4/c14-10-8-16(11-2-1-5-21-11)13(19)17(12(10)18)9-15-3-6-20-7-4-15/h8,11H,1-7,9H2
InChIKeyHJTPXFHAHPJCHM-UHFFFAOYSA-N
XLogP-0.25
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(morpholin-4-ylmethyl)-1-(oxolan-2-yl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-3-(morpholin-4-ylmethyl)-1-(oxolan-2-yl)pyrimidine-2,4-dione (CID 59149455) is 5-fluoro-3-(morpholin-4-ylmethyl)-1-(oxolan-2-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-3-(morpholin-4-ylmethyl)-1-(oxolan-2-yl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-3-(morpholin-4-ylmethyl)-1-(oxolan-2-yl)pyrimidine-2,4-dione is O=c1c(F)cn(C2CCCO2)c(=O)n1CN1CCOCC1.
What is the InChIKey of 5-fluoro-3-(morpholin-4-ylmethyl)-1-(oxolan-2-yl)pyrimidine-2,4-dione?
The InChIKey is HJTPXFHAHPJCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O4/c14-10-8-16(11-2-1-5-21-11)13(19)17(12(10)18)9-15-3-6-20-7-4-15/h8,11H,1-7,9H2.
What are the key properties of 5-fluoro-3-(morpholin-4-ylmethyl)-1-(oxolan-2-yl)pyrimidine-2,4-dione?
5-fluoro-3-(morpholin-4-ylmethyl)-1-(oxolan-2-yl)pyrimidine-2,4-dione has a molecular weight of 299.30 g/mol, XLogP of -0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(morpholin-4-ylmethyl)-1-(oxolan-2-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 59149455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).