2-[4-amino-5-(ethyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide

C16H20FN7O2 — CID 170078026

IUPAC2-[4-amino-5-(ethyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
SMILESCC/N=C/c1c(N)c(C(C)C)nn(CC(=O)Nc2ncc(F)cn2)c1=O
InChIInChI=1S/C16H20FN7O2/c1-4-19-7-11-13(18)14(9(2)3)23-24(15(11)26)8-12(25)22-16-20-5-10(17)6-21-16/h5-7,9H,4,8,18H2,1-3H3,(H,20,21,22,25)/b19-7+
InChIKeyOJEKKDYSBDABRS-FBCYGCLPSA-N
MW361.38 g/mol
LogP0.96
Rot. Bonds6

About 2-[4-amino-5-(ethyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide

2-[4-amino-5-(ethyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide (PubChem CID 170078026) has the molecular formula C16H20FN7O2 and a molecular weight of 361.38 g/mol. Its IUPAC name is 2-[4-amino-5-(ethyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-amino-5-(ethyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
PubChem CID170078026
Molecular FormulaC16H20FN7O2
Molecular Weight361.38 g/mol
Exact Mass361.17
IUPAC Name2-[4-amino-5-(ethyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
SMILESCC/N=C/c1c(N)c(C(C)C)nn(CC(=O)Nc2ncc(F)cn2)c1=O
InChIInChI=1S/C16H20FN7O2/c1-4-19-7-11-13(18)14(9(2)3)23-24(15(11)26)8-12(25)22-16-20-5-10(17)6-21-16/h5-7,9H,4,8,18H2,1-3H3,(H,20,21,22,25)/b19-7+
InChIKeyOJEKKDYSBDABRS-FBCYGCLPSA-N
XLogP0.96
TPSA128.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[4-amino-5-(ethyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide 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 2-[4-amino-5-(ethyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide?
The IUPAC name of 2-[4-amino-5-(ethyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide (CID 170078026) is 2-[4-amino-5-(ethyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-[4-amino-5-(ethyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide?
The canonical SMILES for 2-[4-amino-5-(ethyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide is CC/N=C/c1c(N)c(C(C)C)nn(CC(=O)Nc2ncc(F)cn2)c1=O.
What is the InChIKey of 2-[4-amino-5-(ethyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide?
The InChIKey is OJEKKDYSBDABRS-FBCYGCLPSA-N. The full InChI is InChI=1S/C16H20FN7O2/c1-4-19-7-11-13(18)14(9(2)3)23-24(15(11)26)8-12(25)22-16-20-5-10(17)6-21-16/h5-7,9H,4,8,18H2,1-3H3,(H,20,21,22,25)/b19-7+.
What are the key properties of 2-[4-amino-5-(ethyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide?
2-[4-amino-5-(ethyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide has a molecular weight of 361.38 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-5-(ethyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide is sourced from PubChem (CID 170078026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).