3-[2-(3-aminopyrazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one

C11H11N5OS — CID 63316363

IUPAC3-[2-(3-aminopyrazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one
SMILESNc1ccn(CCn2cnc3sccc3c2=O)n1
InChIInChI=1S/C11H11N5OS/c12-9-1-3-16(14-9)5-4-15-7-13-10-8(11(15)17)2-6-18-10/h1-3,6-7H,4-5H2,(H2,12,14)
InChIKeyAUMCFXSXNUFQKZ-UHFFFAOYSA-N
MW261.31 g/mol
LogP0.94
Rot. Bonds3

About 3-[2-(3-aminopyrazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one

3-[2-(3-aminopyrazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 63316363) has the molecular formula C11H11N5OS and a molecular weight of 261.31 g/mol. Its IUPAC name is 3-[2-(3-aminopyrazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(3-aminopyrazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID63316363
Molecular FormulaC11H11N5OS
Molecular Weight261.31 g/mol
Exact Mass261.07
IUPAC Name3-[2-(3-aminopyrazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one
SMILESNc1ccn(CCn2cnc3sccc3c2=O)n1
InChIInChI=1S/C11H11N5OS/c12-9-1-3-16(14-9)5-4-15-7-13-10-8(11(15)17)2-6-18-10/h1-3,6-7H,4-5H2,(H2,12,14)
InChIKeyAUMCFXSXNUFQKZ-UHFFFAOYSA-N
XLogP0.94
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-(3-aminopyrazol-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one
CID 63316067
5-[2-(3-aminopyrazol-1-yl)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 63315808
5-(4-oxothieno[2,3-d]pyrimidin-3-yl)pentanehydrazide
CID 63578956
3-[2-(cyclopropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 61386927
3-[2-(prop-2-enylamino)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 62564362
3-(2-piperazin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one
CID 39746239
2-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-1H-pyridazine-3,6-dione
CID 39755774
3-(2-hydroxy-2-methylpropyl)thieno[2,3-d]pyrimidin-4-one
CID 110896890
3-[2-(oxolan-3-ylmethylamino)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 62564708
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propylpropanamide
CID 47137735
3-[2-[(4-bromothiophen-2-yl)methylamino]ethyl]thieno[2,3-d]pyrimidin-4-one
CID 62562447
3-[3-(3-methylimidazol-4-yl)propyl]thieno[2,3-d]pyrimidin-4-one
CID 166253569

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-aminopyrazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[2-(3-aminopyrazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one (CID 63316363) is 3-[2-(3-aminopyrazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(3-aminopyrazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-(3-aminopyrazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one is Nc1ccn(CCn2cnc3sccc3c2=O)n1.
What is the InChIKey of 3-[2-(3-aminopyrazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is AUMCFXSXNUFQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5OS/c12-9-1-3-16(14-9)5-4-15-7-13-10-8(11(15)17)2-6-18-10/h1-3,6-7H,4-5H2,(H2,12,14).
What are the key properties of 3-[2-(3-aminopyrazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one?
3-[2-(3-aminopyrazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 261.31 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-aminopyrazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 63316363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).