2-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyridazin-3-one

C13H13N5OS — CID 62848745

IUPAC2-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyridazin-3-one
SMILESCCNc1nc(Cn2ncccc2=O)nc2sccc12
InChIInChI=1S/C13H13N5OS/c1-2-14-12-9-5-7-20-13(9)17-10(16-12)8-18-11(19)4-3-6-15-18/h3-7H,2,8H2,1H3,(H,14,16,17)
InChIKeyGVXHEEXJOORNEZ-UHFFFAOYSA-N
MW287.35 g/mol
LogP1.73
Rot. Bonds4

About 2-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyridazin-3-one

2-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyridazin-3-one (PubChem CID 62848745) has the molecular formula C13H13N5OS and a molecular weight of 287.35 g/mol. Its IUPAC name is 2-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyridazin-3-one
PubChem CID62848745
Molecular FormulaC13H13N5OS
Molecular Weight287.35 g/mol
Exact Mass287.08
IUPAC Name2-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyridazin-3-one
SMILESCCNc1nc(Cn2ncccc2=O)nc2sccc12
InChIInChI=1S/C13H13N5OS/c1-2-14-12-9-5-7-20-13(9)17-10(16-12)8-18-11(19)4-3-6-15-18/h3-7H,2,8H2,1H3,(H,14,16,17)
InChIKeyGVXHEEXJOORNEZ-UHFFFAOYSA-N
XLogP1.73
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-6-methylpyridin-2-one
CID 62193274
N-ethyl-2-(imidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62208153
2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 62193818
2-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-1H-pyridazine-3,6-dione
CID 62208500
N-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62178577
2-(azocan-1-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 62182349
1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidine-3,4-diol
CID 106673897
4-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-3-methylpiperazin-2-one
CID 63606336
1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidin-3-ol
CID 55131369
N-ethyl-2-(methoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62194555
N-ethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62178585
1-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyridin-4-one
CID 62881532

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 2-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyridazin-3-one (CID 62848745) is 2-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 2-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 2-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyridazin-3-one is CCNc1nc(Cn2ncccc2=O)nc2sccc12.
What is the InChIKey of 2-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyridazin-3-one?
The InChIKey is GVXHEEXJOORNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS/c1-2-14-12-9-5-7-20-13(9)17-10(16-12)8-18-11(19)4-3-6-15-18/h3-7H,2,8H2,1H3,(H,14,16,17).
What are the key properties of 2-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyridazin-3-one?
2-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyridazin-3-one has a molecular weight of 287.35 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 62848745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).