6-amino-5-(furan-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione

C11H11N3O4 — CID 7147104

IUPAC6-amino-5-(furan-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)c2ccco2)c(=O)n(C)c1=O
InChIInChI=1S/C11H11N3O4/c1-13-9(12)7(10(16)14(2)11(13)17)8(15)6-4-3-5-18-6/h3-5H,12H2,1-2H3
InChIKeyOAEJLQRPTLPJJM-UHFFFAOYSA-N
MW249.23 g/mol
LogP-0.51
Rot. Bonds2

About 6-amino-5-(furan-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione

6-amino-5-(furan-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 7147104) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is 6-amino-5-(furan-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(furan-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione
PubChem CID7147104
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name6-amino-5-(furan-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)c2ccco2)c(=O)n(C)c1=O
InChIInChI=1S/C11H11N3O4/c1-13-9(12)7(10(16)14(2)11(13)17)8(15)6-4-3-5-18-6/h3-5H,12H2,1-2H3
InChIKeyOAEJLQRPTLPJJM-UHFFFAOYSA-N
XLogP-0.51
TPSA100.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(furan-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(furan-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione (CID 7147104) is 6-amino-5-(furan-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(furan-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(furan-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione is Cn1c(N)c(C(=O)c2ccco2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-(furan-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is OAEJLQRPTLPJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-13-9(12)7(10(16)14(2)11(13)17)8(15)6-4-3-5-18-6/h3-5H,12H2,1-2H3.
What are the key properties of 6-amino-5-(furan-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione?
6-amino-5-(furan-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 249.23 g/mol, XLogP of -0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(furan-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 7147104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).