6-(2,2-diethoxyethylamino)-1,3-dimethyl-5-nitrosopyrimidine-2,4-dione

C12H20N4O5 — CID 15598028

IUPAC6-(2,2-diethoxyethylamino)-1,3-dimethyl-5-nitrosopyrimidine-2,4-dione
SMILESCCOC(CNc1c(N=O)c(=O)n(C)c(=O)n1C)OCC
InChIInChI=1S/C12H20N4O5/c1-5-20-8(21-6-2)7-13-10-9(14-19)11(17)16(4)12(18)15(10)3/h8,13H,5-7H2,1-4H3
InChIKeyITQZMYZSHNLOOQ-UHFFFAOYSA-N
MW300.31 g/mol
LogP0.29
Rot. Bonds8

About 6-(2,2-diethoxyethylamino)-1,3-dimethyl-5-nitrosopyrimidine-2,4-dione

6-(2,2-diethoxyethylamino)-1,3-dimethyl-5-nitrosopyrimidine-2,4-dione (PubChem CID 15598028) has the molecular formula C12H20N4O5 and a molecular weight of 300.31 g/mol. Its IUPAC name is 6-(2,2-diethoxyethylamino)-1,3-dimethyl-5-nitrosopyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2,2-diethoxyethylamino)-1,3-dimethyl-5-nitrosopyrimidine-2,4-dione
PubChem CID15598028
Molecular FormulaC12H20N4O5
Molecular Weight300.31 g/mol
Exact Mass300.14
IUPAC Name6-(2,2-diethoxyethylamino)-1,3-dimethyl-5-nitrosopyrimidine-2,4-dione
SMILESCCOC(CNc1c(N=O)c(=O)n(C)c(=O)n1C)OCC
InChIInChI=1S/C12H20N4O5/c1-5-20-8(21-6-2)7-13-10-9(14-19)11(17)16(4)12(18)15(10)3/h8,13H,5-7H2,1-4H3
InChIKeyITQZMYZSHNLOOQ-UHFFFAOYSA-N
XLogP0.29
TPSA103.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-diethoxyethylamino)-1,3-dimethyl-5-nitrosopyrimidine-2,4-dione?
The IUPAC name of 6-(2,2-diethoxyethylamino)-1,3-dimethyl-5-nitrosopyrimidine-2,4-dione (CID 15598028) is 6-(2,2-diethoxyethylamino)-1,3-dimethyl-5-nitrosopyrimidine-2,4-dione.
What is the SMILES notation for 6-(2,2-diethoxyethylamino)-1,3-dimethyl-5-nitrosopyrimidine-2,4-dione?
The canonical SMILES for 6-(2,2-diethoxyethylamino)-1,3-dimethyl-5-nitrosopyrimidine-2,4-dione is CCOC(CNc1c(N=O)c(=O)n(C)c(=O)n1C)OCC.
What is the InChIKey of 6-(2,2-diethoxyethylamino)-1,3-dimethyl-5-nitrosopyrimidine-2,4-dione?
The InChIKey is ITQZMYZSHNLOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O5/c1-5-20-8(21-6-2)7-13-10-9(14-19)11(17)16(4)12(18)15(10)3/h8,13H,5-7H2,1-4H3.
What are the key properties of 6-(2,2-diethoxyethylamino)-1,3-dimethyl-5-nitrosopyrimidine-2,4-dione?
6-(2,2-diethoxyethylamino)-1,3-dimethyl-5-nitrosopyrimidine-2,4-dione has a molecular weight of 300.31 g/mol, XLogP of 0.29, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-diethoxyethylamino)-1,3-dimethyl-5-nitrosopyrimidine-2,4-dione is sourced from PubChem (CID 15598028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).