6-amino-3-benzyl-2-methoxy-5-nitrosopyrimidin-4-one

C12H12N4O3 — CID 71458233

IUPAC6-amino-3-benzyl-2-methoxy-5-nitrosopyrimidin-4-one
SMILESCOc1nc(N)c(N=O)c(=O)n1Cc1ccccc1
InChIInChI=1S/C12H12N4O3/c1-19-12-14-10(13)9(15-18)11(17)16(12)7-8-5-3-2-4-6-8/h2-6H,7,13H2,1H3
InChIKeyADYCRDLNZQCLBB-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.28
Rot. Bonds4

About 6-amino-3-benzyl-2-methoxy-5-nitrosopyrimidin-4-one

6-amino-3-benzyl-2-methoxy-5-nitrosopyrimidin-4-one (PubChem CID 71458233) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 6-amino-3-benzyl-2-methoxy-5-nitrosopyrimidin-4-one.

Molecular Properties

Compound Name6-amino-3-benzyl-2-methoxy-5-nitrosopyrimidin-4-one
PubChem CID71458233
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name6-amino-3-benzyl-2-methoxy-5-nitrosopyrimidin-4-one
SMILESCOc1nc(N)c(N=O)c(=O)n1Cc1ccccc1
InChIInChI=1S/C12H12N4O3/c1-19-12-14-10(13)9(15-18)11(17)16(12)7-8-5-3-2-4-6-8/h2-6H,7,13H2,1H3
InChIKeyADYCRDLNZQCLBB-UHFFFAOYSA-N
XLogP1.28
TPSA99.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-amino-3-benzyl-2-methoxy-5-nitrosopyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-benzyl-2-methoxy-5-nitrosopyrimidin-4-one?
The IUPAC name of 6-amino-3-benzyl-2-methoxy-5-nitrosopyrimidin-4-one (CID 71458233) is 6-amino-3-benzyl-2-methoxy-5-nitrosopyrimidin-4-one.
What is the SMILES notation for 6-amino-3-benzyl-2-methoxy-5-nitrosopyrimidin-4-one?
The canonical SMILES for 6-amino-3-benzyl-2-methoxy-5-nitrosopyrimidin-4-one is COc1nc(N)c(N=O)c(=O)n1Cc1ccccc1.
What is the InChIKey of 6-amino-3-benzyl-2-methoxy-5-nitrosopyrimidin-4-one?
The InChIKey is ADYCRDLNZQCLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-19-12-14-10(13)9(15-18)11(17)16(12)7-8-5-3-2-4-6-8/h2-6H,7,13H2,1H3.
What are the key properties of 6-amino-3-benzyl-2-methoxy-5-nitrosopyrimidin-4-one?
6-amino-3-benzyl-2-methoxy-5-nitrosopyrimidin-4-one has a molecular weight of 260.25 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-benzyl-2-methoxy-5-nitrosopyrimidin-4-one is sourced from PubChem (CID 71458233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).