2-(tert-butylamino)-3H-thieno[3,2-d]pyrimidin-4-one

C10H13N3OS — CID 136961692

IUPAC2-(tert-butylamino)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCC(C)(C)Nc1nc2ccsc2c(=O)[nH]1
InChIInChI=1S/C10H13N3OS/c1-10(2,3)13-9-11-6-4-5-15-7(6)8(14)12-9/h4-5H,1-3H3,(H2,11,12,13,14)
InChIKeyDUWGPNNLHLMKHC-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.19
Rot. Bonds1

About 2-(tert-butylamino)-3H-thieno[3,2-d]pyrimidin-4-one

2-(tert-butylamino)-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 136961692) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-(tert-butylamino)-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(tert-butylamino)-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID136961692
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name2-(tert-butylamino)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCC(C)(C)Nc1nc2ccsc2c(=O)[nH]1
InChIInChI=1S/C10H13N3OS/c1-10(2,3)13-9-11-6-4-5-15-7(6)8(14)12-9/h4-5H,1-3H3,(H2,11,12,13,14)
InChIKeyDUWGPNNLHLMKHC-UHFFFAOYSA-N
XLogP2.19
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(tert-butylamino)-3H-thieno[3,2-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 135417422
N-(4-oxo-4H-thieno[3,2-d][1,3]thiazin-2-yl)cyclobutanecarboxamide
CID 2810229
2-(Cyclopentylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118719988
2-(Cyclohexylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118719989
2-Anilino-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118724077
3-Ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one
CID 118729736
2-(Cyclobutylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118729740
3-(dimethylamino)thieno[3,2-d]pyrimidin-4(3H)-one
CID 1478283
2-((methylamino)methyl)thieno[3,2-d]pyrimidin-4(3H)-one
CID 135600413
3-Methyl-2-(prop-2-enylamino)thieno[3,2-d]pyrimidin-4-one
CID 118719987
3-Ethyl-2-(ethylamino)thieno[3,2-d]pyrimidin-4-one
CID 118729734
3-Ethyl-2-(propylamino)thieno[3,2-d]pyrimidin-4-one
CID 118729735

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-(tert-butylamino)-3H-thieno[3,2-d]pyrimidin-4-one (CID 136961692) is 2-(tert-butylamino)-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-(tert-butylamino)-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-(tert-butylamino)-3H-thieno[3,2-d]pyrimidin-4-one is CC(C)(C)Nc1nc2ccsc2c(=O)[nH]1.
What is the InChIKey of 2-(tert-butylamino)-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is DUWGPNNLHLMKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-10(2,3)13-9-11-6-4-5-15-7(6)8(14)12-9/h4-5H,1-3H3,(H2,11,12,13,14).
What are the key properties of 2-(tert-butylamino)-3H-thieno[3,2-d]pyrimidin-4-one?
2-(tert-butylamino)-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 223.30 g/mol, XLogP of 2.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 136961692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).