4-(methylaminomethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidin-2-one

C8H11N3OS — CID 83871375

IUPAC4-(methylaminomethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidin-2-one
SMILESCNCc1nc(=O)[nH]c2c1CSC2
InChIInChI=1S/C8H11N3OS/c1-9-2-6-5-3-13-4-7(5)11-8(12)10-6/h9H,2-4H2,1H3,(H,10,11,12)
InChIKeyBIKUVEOFQPWAFN-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.24
Rot. Bonds2

About 4-(methylaminomethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidin-2-one

4-(methylaminomethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidin-2-one (PubChem CID 83871375) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is 4-(methylaminomethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-(methylaminomethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidin-2-one
PubChem CID83871375
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name4-(methylaminomethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidin-2-one
SMILESCNCc1nc(=O)[nH]c2c1CSC2
InChIInChI=1S/C8H11N3OS/c1-9-2-6-5-3-13-4-7(5)11-8(12)10-6/h9H,2-4H2,1H3,(H,10,11,12)
InChIKeyBIKUVEOFQPWAFN-UHFFFAOYSA-N
XLogP0.24
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(methylaminomethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidin-2-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 4-(methylaminomethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidin-2-one?
The IUPAC name of 4-(methylaminomethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidin-2-one (CID 83871375) is 4-(methylaminomethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidin-2-one.
What is the SMILES notation for 4-(methylaminomethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidin-2-one?
The canonical SMILES for 4-(methylaminomethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidin-2-one is CNCc1nc(=O)[nH]c2c1CSC2.
What is the InChIKey of 4-(methylaminomethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidin-2-one?
The InChIKey is BIKUVEOFQPWAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c1-9-2-6-5-3-13-4-7(5)11-8(12)10-6/h9H,2-4H2,1H3,(H,10,11,12).
What are the key properties of 4-(methylaminomethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidin-2-one?
4-(methylaminomethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidin-2-one has a molecular weight of 197.26 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidin-2-one is sourced from PubChem (CID 83871375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).