2-(aminomethyl)-6-pyrimidin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;propane

C14H17N5OS — CID 142482209

IUPAC2-(aminomethyl)-6-pyrimidin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;propane
SMILESCCC.NCc1nc2cc(-c3ccncn3)sc2c(=O)[nH]1
InChIInChI=1S/C11H9N5OS.C3H8/c12-4-9-15-7-3-8(6-1-2-13-5-14-6)18-10(7)11(17)16-9;1-3-2/h1-3,5H,4,12H2,(H,15,16,17);3H2,1-2H3
InChIKeyZIKBGMUQMBDMGH-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.32
Rot. Bonds2

About 2-(aminomethyl)-6-pyrimidin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;propane

2-(aminomethyl)-6-pyrimidin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;propane (PubChem CID 142482209) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-(aminomethyl)-6-pyrimidin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;propane.

Molecular Properties

Compound Name2-(aminomethyl)-6-pyrimidin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;propane
PubChem CID142482209
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name2-(aminomethyl)-6-pyrimidin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;propane
SMILESCCC.NCc1nc2cc(-c3ccncn3)sc2c(=O)[nH]1
InChIInChI=1S/C11H9N5OS.C3H8/c12-4-9-15-7-3-8(6-1-2-13-5-14-6)18-10(7)11(17)16-9;1-3-2/h1-3,5H,4,12H2,(H,15,16,17);3H2,1-2H3
InChIKeyZIKBGMUQMBDMGH-UHFFFAOYSA-N
XLogP2.32
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(aminomethyl)-6-pyrimidin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;propane 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 2-(aminomethyl)-6-pyrimidin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;propane?
The IUPAC name of 2-(aminomethyl)-6-pyrimidin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;propane (CID 142482209) is 2-(aminomethyl)-6-pyrimidin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;propane.
What is the SMILES notation for 2-(aminomethyl)-6-pyrimidin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;propane?
The canonical SMILES for 2-(aminomethyl)-6-pyrimidin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;propane is CCC.NCc1nc2cc(-c3ccncn3)sc2c(=O)[nH]1.
What is the InChIKey of 2-(aminomethyl)-6-pyrimidin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;propane?
The InChIKey is ZIKBGMUQMBDMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5OS.C3H8/c12-4-9-15-7-3-8(6-1-2-13-5-14-6)18-10(7)11(17)16-9;1-3-2/h1-3,5H,4,12H2,(H,15,16,17);3H2,1-2H3.
What are the key properties of 2-(aminomethyl)-6-pyrimidin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;propane?
2-(aminomethyl)-6-pyrimidin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;propane has a molecular weight of 303.39 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-pyrimidin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;propane is sourced from PubChem (CID 142482209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).