3-[[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1H-pyridazin-6-one

C14H15N5OS — CID 138029991

IUPAC3-[[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1H-pyridazin-6-one
SMILESCCc1cc2c(NCc3ccc(=O)[nH]n3)nc(C)nc2s1
InChIInChI=1S/C14H15N5OS/c1-3-10-6-11-13(16-8(2)17-14(11)21-10)15-7-9-4-5-12(20)19-18-9/h4-6H,3,7H2,1-2H3,(H,19,20)(H,15,16,17)
InChIKeyRVKLLVDVMAXZIC-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.26
Rot. Bonds4

About 3-[[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1H-pyridazin-6-one

3-[[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1H-pyridazin-6-one (PubChem CID 138029991) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is 3-[[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1H-pyridazin-6-one
PubChem CID138029991
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC Name3-[[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1H-pyridazin-6-one
SMILESCCc1cc2c(NCc3ccc(=O)[nH]n3)nc(C)nc2s1
InChIInChI=1S/C14H15N5OS/c1-3-10-6-11-13(16-8(2)17-14(11)21-10)15-7-9-4-5-12(20)19-18-9/h4-6H,3,7H2,1-2H3,(H,19,20)(H,15,16,17)
InChIKeyRVKLLVDVMAXZIC-UHFFFAOYSA-N
XLogP2.26
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1H-pyridazin-6-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 3-[[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1H-pyridazin-6-one (CID 138029991) is 3-[[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1H-pyridazin-6-one is CCc1cc2c(NCc3ccc(=O)[nH]n3)nc(C)nc2s1.
What is the InChIKey of 3-[[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1H-pyridazin-6-one?
The InChIKey is RVKLLVDVMAXZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-3-10-6-11-13(16-8(2)17-14(11)21-10)15-7-9-4-5-12(20)19-18-9/h4-6H,3,7H2,1-2H3,(H,19,20)(H,15,16,17).
What are the key properties of 3-[[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1H-pyridazin-6-one?
3-[[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1H-pyridazin-6-one has a molecular weight of 301.38 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1H-pyridazin-6-one is sourced from PubChem (CID 138029991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).