6-(5-methyl-1H-pyrazol-4-yl)-2-morpholin-3-yl-3H-thieno[3,2-d]pyrimidin-4-one

C14H15N5O2S — CID 136603374

About 6-(5-methyl-1H-pyrazol-4-yl)-2-morpholin-3-yl-3H-thieno[3,2-d]pyrimidin-4-one

6-(5-methyl-1H-pyrazol-4-yl)-2-morpholin-3-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 136603374) has the molecular formula C14H15N5O2S and a molecular weight of 317.37 g/mol. Its IUPAC name is 6-(5-methyl-1H-pyrazol-4-yl)-2-morpholin-3-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-(5-methyl-1H-pyrazol-4-yl)-2-morpholin-3-yl-3H-thieno[3,2-d]pyrimidin-4-one
• PubChem CID: 136603374
• Molecular Formula: C14H15N5O2S
• Molecular Weight: 317.37 g/mol
• Exact Mass: 317.09
• IUPAC Name: 6-(5-methyl-1H-pyrazol-4-yl)-2-morpholin-3-yl-3H-thieno[3,2-d]pyrimidin-4-one
• SMILES: Cc1[nH]ncc1-c1cc2nc(C3COCCN3)[nH]c(=O)c2s1
• InChI: InChI=1S/C14H15N5O2S/c1-7-8(5-16-19-7)11-4-9-12(22-11)14(20)18-13(17-9)10-6-21-3-2-15-10/h4-5,10,15H,2-3,6H2,1H3,(H,16,19)(H,17,18,20)
• InChIKey: LJYPPDWPPQEQLQ-UHFFFAOYSA-N
• XLogP: 1.34
• TPSA: 95.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	317.37
LogP ≤ 5	1.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-1H-pyrazol-4-yl)-2-morpholin-3-yl-3H-thieno[3,2-d]pyrimidin-4-one?

The IUPAC name of 6-(5-methyl-1H-pyrazol-4-yl)-2-morpholin-3-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 136603374) is 6-(5-methyl-1H-pyrazol-4-yl)-2-morpholin-3-yl-3H-thieno[3,2-d]pyrimidin-4-one.

What is the SMILES notation for 6-(5-methyl-1H-pyrazol-4-yl)-2-morpholin-3-yl-3H-thieno[3,2-d]pyrimidin-4-one?

The canonical SMILES for 6-(5-methyl-1H-pyrazol-4-yl)-2-morpholin-3-yl-3H-thieno[3,2-d]pyrimidin-4-one is Cc1[nH]ncc1-c1cc2nc(C3COCCN3)[nH]c(=O)c2s1.

What is the InChIKey of 6-(5-methyl-1H-pyrazol-4-yl)-2-morpholin-3-yl-3H-thieno[3,2-d]pyrimidin-4-one?

The InChIKey is LJYPPDWPPQEQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S/c1-7-8(5-16-19-7)11-4-9-12(22-11)14(20)18-13(17-9)10-6-21-3-2-15-10/h4-5,10,15H,2-3,6H2,1H3,(H,16,19)(H,17,18,20).

What are the key properties of 6-(5-methyl-1H-pyrazol-4-yl)-2-morpholin-3-yl-3H-thieno[3,2-d]pyrimidin-4-one?

6-(5-methyl-1H-pyrazol-4-yl)-2-morpholin-3-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 317.37 g/mol, XLogP of 1.34, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-methyl-1H-pyrazol-4-yl)-2-morpholin-3-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 136603374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).