6-amino-3-ethyl-1-(furan-2-ylmethyl)-5-nitrosopyrimidine-2,4-dione

C11H12N4O4 — CID 121220119

IUPAC6-amino-3-ethyl-1-(furan-2-ylmethyl)-5-nitrosopyrimidine-2,4-dione
SMILESCCn1c(=O)c(N=O)c(N)n(Cc2ccco2)c1=O
InChIInChI=1S/C11H12N4O4/c1-2-14-10(16)8(13-18)9(12)15(11(14)17)6-7-4-3-5-19-7/h3-5H,2,6,12H2,1H3
InChIKeyDETUREIMKQSNKT-UHFFFAOYSA-N
MW264.24 g/mol
LogP0.65
Rot. Bonds4

About 6-amino-3-ethyl-1-(furan-2-ylmethyl)-5-nitrosopyrimidine-2,4-dione

6-amino-3-ethyl-1-(furan-2-ylmethyl)-5-nitrosopyrimidine-2,4-dione (PubChem CID 121220119) has the molecular formula C11H12N4O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is 6-amino-3-ethyl-1-(furan-2-ylmethyl)-5-nitrosopyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-ethyl-1-(furan-2-ylmethyl)-5-nitrosopyrimidine-2,4-dione
PubChem CID121220119
Molecular FormulaC11H12N4O4
Molecular Weight264.24 g/mol
Exact Mass264.09
IUPAC Name6-amino-3-ethyl-1-(furan-2-ylmethyl)-5-nitrosopyrimidine-2,4-dione
SMILESCCn1c(=O)c(N=O)c(N)n(Cc2ccco2)c1=O
InChIInChI=1S/C11H12N4O4/c1-2-14-10(16)8(13-18)9(12)15(11(14)17)6-7-4-3-5-19-7/h3-5H,2,6,12H2,1H3
InChIKeyDETUREIMKQSNKT-UHFFFAOYSA-N
XLogP0.65
TPSA112.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-amino-1-(furan-2-ylmethyl)-5-nitroso-3-propylpyrimidine-2,4-dione
CID 121012222
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(furan-2-ylmethyl)-N-phenylacetamide
CID 55447584
6-amino-1-(furan-2-ylmethyl)-3-prop-2-ynylpyrimidine-2,4-dione
CID 121010834
6-amino-5-(diethylaminomethyl)-1-(furan-2-ylmethyl)pyrimidine-2,4-dione
CID 39101032
1-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethyl)quinazoline-2,4-dione
CID 4618338
1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 7129212
3-(furan-2-ylmethyl)-4-oxoquinazoline-2-carbonitrile
CID 86081653
5-(ethyliminomethyl)-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione
CID 137144670
1-ethyl-4-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 17091379
1-(furan-2-ylmethyl)-2-hydroxy-4-methyl-6-oxo-5-[(4-phenylphenyl)diazenyl]pyridine-3-carbonitrile
CID 135835287
1-(furan-2-ylmethyl)-2-hydroxy-4-methyl-5-(naphthalen-1-yldiazenyl)-6-oxopyridine-3-carbonitrile
CID 135835481
2-[6-chloro-3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 4614899

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-ethyl-1-(furan-2-ylmethyl)-5-nitrosopyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-ethyl-1-(furan-2-ylmethyl)-5-nitrosopyrimidine-2,4-dione (CID 121220119) is 6-amino-3-ethyl-1-(furan-2-ylmethyl)-5-nitrosopyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-ethyl-1-(furan-2-ylmethyl)-5-nitrosopyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-ethyl-1-(furan-2-ylmethyl)-5-nitrosopyrimidine-2,4-dione is CCn1c(=O)c(N=O)c(N)n(Cc2ccco2)c1=O.
What is the InChIKey of 6-amino-3-ethyl-1-(furan-2-ylmethyl)-5-nitrosopyrimidine-2,4-dione?
The InChIKey is DETUREIMKQSNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4/c1-2-14-10(16)8(13-18)9(12)15(11(14)17)6-7-4-3-5-19-7/h3-5H,2,6,12H2,1H3.
What are the key properties of 6-amino-3-ethyl-1-(furan-2-ylmethyl)-5-nitrosopyrimidine-2,4-dione?
6-amino-3-ethyl-1-(furan-2-ylmethyl)-5-nitrosopyrimidine-2,4-dione has a molecular weight of 264.24 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-ethyl-1-(furan-2-ylmethyl)-5-nitrosopyrimidine-2,4-dione is sourced from PubChem (CID 121220119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).