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

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Related Compounds

6-ethyl-2-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 6458164
2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 6460527
3-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 654691
1-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 82022327
2-chloro-6-ethyl-N-[(2-methylpyrimidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321311
6-ethyl-4-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324414
2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(furan-2-ylmethyl)acetamide
CID 39085005
2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methyl-N-phenylacetamide
CID 39081926
2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide
CID 39085002
N-benzyl-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methylacetamide
CID 39081894
N-[(4-fluorophenyl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 4060721
N-benzyl-6-ethyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
CID 18460206

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).