6-amino-5-[2-(3-fluorophenoxy)acetyl]-1,3-dimethylpyrimidine-2,4-dione

C14H14FN3O4 — CID 2101010

IUPAC6-amino-5-[2-(3-fluorophenoxy)acetyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)COc2cccc(F)c2)c(=O)n(C)c1=O
InChIInChI=1S/C14H14FN3O4/c1-17-12(16)11(13(20)18(2)14(17)21)10(19)7-22-9-5-3-4-8(15)6-9/h3-6H,7,16H2,1-2H3
InChIKeyGKYQIOWMBRYMMU-UHFFFAOYSA-N
MW307.28 g/mol
LogP0.07
Rot. Bonds4

About 6-amino-5-[2-(3-fluorophenoxy)acetyl]-1,3-dimethylpyrimidine-2,4-dione

6-amino-5-[2-(3-fluorophenoxy)acetyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 2101010) has the molecular formula C14H14FN3O4 and a molecular weight of 307.28 g/mol. Its IUPAC name is 6-amino-5-[2-(3-fluorophenoxy)acetyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-(3-fluorophenoxy)acetyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID2101010
Molecular FormulaC14H14FN3O4
Molecular Weight307.28 g/mol
Exact Mass307.10
IUPAC Name6-amino-5-[2-(3-fluorophenoxy)acetyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)COc2cccc(F)c2)c(=O)n(C)c1=O
InChIInChI=1S/C14H14FN3O4/c1-17-12(16)11(13(20)18(2)14(17)21)10(19)7-22-9-5-3-4-8(15)6-9/h3-6H,7,16H2,1-2H3
InChIKeyGKYQIOWMBRYMMU-UHFFFAOYSA-N
XLogP0.07
TPSA96.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-(3-fluorophenoxy)acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-(3-fluorophenoxy)acetyl]-1,3-dimethylpyrimidine-2,4-dione (CID 2101010) is 6-amino-5-[2-(3-fluorophenoxy)acetyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-(3-fluorophenoxy)acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-(3-fluorophenoxy)acetyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(N)c(C(=O)COc2cccc(F)c2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-[2-(3-fluorophenoxy)acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is GKYQIOWMBRYMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O4/c1-17-12(16)11(13(20)18(2)14(17)21)10(19)7-22-9-5-3-4-8(15)6-9/h3-6H,7,16H2,1-2H3.
What are the key properties of 6-amino-5-[2-(3-fluorophenoxy)acetyl]-1,3-dimethylpyrimidine-2,4-dione?
6-amino-5-[2-(3-fluorophenoxy)acetyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 307.28 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-(3-fluorophenoxy)acetyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 2101010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).