2-amino-7-(4-pyridin-4-ylpiperazine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one

C16H16N6O2S — CID 137223356

IUPAC2-amino-7-(4-pyridin-4-ylpiperazine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESNc1nc2c(C(=O)N3CCN(c4ccncc4)CC3)csc2c(=O)[nH]1
InChIInChI=1S/C16H16N6O2S/c17-16-19-12-11(9-25-13(12)14(23)20-16)15(24)22-7-5-21(6-8-22)10-1-3-18-4-2-10/h1-4,9H,5-8H2,(H3,17,19,20,23)
InChIKeyAZGXJMGDNNRRDL-UHFFFAOYSA-N
MW356.41 g/mol
LogP0.92
Rot. Bonds2

About 2-amino-7-(4-pyridin-4-ylpiperazine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one

2-amino-7-(4-pyridin-4-ylpiperazine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 137223356) has the molecular formula C16H16N6O2S and a molecular weight of 356.41 g/mol. Its IUPAC name is 2-amino-7-(4-pyridin-4-ylpiperazine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-7-(4-pyridin-4-ylpiperazine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID137223356
Molecular FormulaC16H16N6O2S
Molecular Weight356.41 g/mol
Exact Mass356.11
IUPAC Name2-amino-7-(4-pyridin-4-ylpiperazine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESNc1nc2c(C(=O)N3CCN(c4ccncc4)CC3)csc2c(=O)[nH]1
InChIInChI=1S/C16H16N6O2S/c17-16-19-12-11(9-25-13(12)14(23)20-16)15(24)22-7-5-21(6-8-22)10-1-3-18-4-2-10/h1-4,9H,5-8H2,(H3,17,19,20,23)
InChIKeyAZGXJMGDNNRRDL-UHFFFAOYSA-N
XLogP0.92
TPSA108.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(4-pyridin-4-ylpiperazine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-amino-7-(4-pyridin-4-ylpiperazine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one (CID 137223356) is 2-amino-7-(4-pyridin-4-ylpiperazine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-7-(4-pyridin-4-ylpiperazine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-7-(4-pyridin-4-ylpiperazine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one is Nc1nc2c(C(=O)N3CCN(c4ccncc4)CC3)csc2c(=O)[nH]1.
What is the InChIKey of 2-amino-7-(4-pyridin-4-ylpiperazine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is AZGXJMGDNNRRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2S/c17-16-19-12-11(9-25-13(12)14(23)20-16)15(24)22-7-5-21(6-8-22)10-1-3-18-4-2-10/h1-4,9H,5-8H2,(H3,17,19,20,23).
What are the key properties of 2-amino-7-(4-pyridin-4-ylpiperazine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one?
2-amino-7-(4-pyridin-4-ylpiperazine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 356.41 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(4-pyridin-4-ylpiperazine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137223356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).