5-fluoro-1-[2-hydroxyethoxy-(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-dione

C16H19FN2O7 — CID 15583556

IUPAC5-fluoro-1-[2-hydroxyethoxy-(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-dione
SMILESCOc1cc(C(OCCO)n2cc(F)c(=O)[nH]c2=O)cc(OC)c1OC
InChIInChI=1S/C16H19FN2O7/c1-23-11-6-9(7-12(24-2)13(11)25-3)15(26-5-4-20)19-8-10(17)14(21)18-16(19)22/h6-8,15,20H,4-5H2,1-3H3,(H,18,21,22)
InChIKeyZALWDTPKBXLGBR-UHFFFAOYSA-N
MW370.33 g/mol
LogP0.26
Rot. Bonds8

About 5-fluoro-1-[2-hydroxyethoxy-(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-dione

5-fluoro-1-[2-hydroxyethoxy-(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-dione (PubChem CID 15583556) has the molecular formula C16H19FN2O7 and a molecular weight of 370.33 g/mol. Its IUPAC name is 5-fluoro-1-[2-hydroxyethoxy-(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-[2-hydroxyethoxy-(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-dione
PubChem CID15583556
Molecular FormulaC16H19FN2O7
Molecular Weight370.33 g/mol
Exact Mass370.12
IUPAC Name5-fluoro-1-[2-hydroxyethoxy-(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-dione
SMILESCOc1cc(C(OCCO)n2cc(F)c(=O)[nH]c2=O)cc(OC)c1OC
InChIInChI=1S/C16H19FN2O7/c1-23-11-6-9(7-12(24-2)13(11)25-3)15(26-5-4-20)19-8-10(17)14(21)18-16(19)22/h6-8,15,20H,4-5H2,1-3H3,(H,18,21,22)
InChIKeyZALWDTPKBXLGBR-UHFFFAOYSA-N
XLogP0.26
TPSA112.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[2-hydroxyethoxy-(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-[2-hydroxyethoxy-(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-dione (CID 15583556) is 5-fluoro-1-[2-hydroxyethoxy-(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-[2-hydroxyethoxy-(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-[2-hydroxyethoxy-(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-dione is COc1cc(C(OCCO)n2cc(F)c(=O)[nH]c2=O)cc(OC)c1OC.
What is the InChIKey of 5-fluoro-1-[2-hydroxyethoxy-(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is ZALWDTPKBXLGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O7/c1-23-11-6-9(7-12(24-2)13(11)25-3)15(26-5-4-20)19-8-10(17)14(21)18-16(19)22/h6-8,15,20H,4-5H2,1-3H3,(H,18,21,22).
What are the key properties of 5-fluoro-1-[2-hydroxyethoxy-(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-dione?
5-fluoro-1-[2-hydroxyethoxy-(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 370.33 g/mol, XLogP of 0.26, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[2-hydroxyethoxy-(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 15583556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).