2-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one

C13H16ClN5O — CID 114395571

IUPAC2-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one
SMILESCCN(C)c1cnn(Cc2nc(C)cc(Cl)n2)c(=O)c1
InChIInChI=1S/C13H16ClN5O/c1-4-18(3)10-6-13(20)19(15-7-10)8-12-16-9(2)5-11(14)17-12/h5-7H,4,8H2,1-3H3
InChIKeyYVBCMDIEEZQXMA-UHFFFAOYSA-N
MW293.76 g/mol
LogP1.50
Rot. Bonds4

About 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one

2-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one (PubChem CID 114395571) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one
PubChem CID114395571
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC Name2-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one
SMILESCCN(C)c1cnn(Cc2nc(C)cc(Cl)n2)c(=O)c1
InChIInChI=1S/C13H16ClN5O/c1-4-18(3)10-6-13(20)19(15-7-10)8-12-16-9(2)5-11(14)17-12/h5-7H,4,8H2,1-3H3
InChIKeyYVBCMDIEEZQXMA-UHFFFAOYSA-N
XLogP1.50
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-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 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
The IUPAC name of 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one (CID 114395571) is 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
The canonical SMILES for 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one is CCN(C)c1cnn(Cc2nc(C)cc(Cl)n2)c(=O)c1.
What is the InChIKey of 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
The InChIKey is YVBCMDIEEZQXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c1-4-18(3)10-6-13(20)19(15-7-10)8-12-16-9(2)5-11(14)17-12/h5-7H,4,8H2,1-3H3.
What are the key properties of 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
2-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one has a molecular weight of 293.76 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one is sourced from PubChem (CID 114395571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).