4-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one

C17H16N4OS — CID 9113727

IUPAC4-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one
SMILESCc1nc(N2CCNC(=O)C2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C17H16N4OS/c1-11-19-16(21-8-7-18-14(22)9-21)15-13(10-23-17(15)20-11)12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3,(H,18,22)
InChIKeyXAGXKFLEWABDQC-UHFFFAOYSA-N
MW324.41 g/mol
LogP2.60
Rot. Bonds2

About 4-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one

4-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one (PubChem CID 9113727) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is 4-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one
PubChem CID9113727
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC Name4-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one
SMILESCc1nc(N2CCNC(=O)C2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C17H16N4OS/c1-11-19-16(21-8-7-18-14(22)9-21)15-13(10-23-17(15)20-11)12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3,(H,18,22)
InChIKeyXAGXKFLEWABDQC-UHFFFAOYSA-N
XLogP2.60
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one?
The IUPAC name of 4-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one (CID 9113727) is 4-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one.
What is the SMILES notation for 4-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one?
The canonical SMILES for 4-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one is Cc1nc(N2CCNC(=O)C2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of 4-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one?
The InChIKey is XAGXKFLEWABDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c1-11-19-16(21-8-7-18-14(22)9-21)15-13(10-23-17(15)20-11)12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3,(H,18,22).
What are the key properties of 4-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one?
4-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one has a molecular weight of 324.41 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one is sourced from PubChem (CID 9113727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).