3-methyl-5-(4-methylphenyl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-one

C18H20N4OS — CID 39163546

IUPAC3-methyl-5-(4-methylphenyl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc(-c2csc3nc(N4CCNCC4)n(C)c(=O)c23)cc1
InChIInChI=1S/C18H20N4OS/c1-12-3-5-13(6-4-12)14-11-24-16-15(14)17(23)21(2)18(20-16)22-9-7-19-8-10-22/h3-6,11,19H,7-10H2,1-2H3
InChIKeyKNBUODXGUVOHFH-UHFFFAOYSA-N
MW340.45 g/mol
LogP2.38
Rot. Bonds2

About 3-methyl-5-(4-methylphenyl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-one

3-methyl-5-(4-methylphenyl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-one (PubChem CID 39163546) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 3-methyl-5-(4-methylphenyl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-5-(4-methylphenyl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-one
PubChem CID39163546
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name3-methyl-5-(4-methylphenyl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc(-c2csc3nc(N4CCNCC4)n(C)c(=O)c23)cc1
InChIInChI=1S/C18H20N4OS/c1-12-3-5-13(6-4-12)14-11-24-16-15(14)17(23)21(2)18(20-16)22-9-7-19-8-10-22/h3-6,11,19H,7-10H2,1-2H3
InChIKeyKNBUODXGUVOHFH-UHFFFAOYSA-N
XLogP2.38
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(4-methylphenyl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-5-(4-methylphenyl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-one (CID 39163546) is 3-methyl-5-(4-methylphenyl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-5-(4-methylphenyl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-5-(4-methylphenyl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-one is Cc1ccc(-c2csc3nc(N4CCNCC4)n(C)c(=O)c23)cc1.
What is the InChIKey of 3-methyl-5-(4-methylphenyl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is KNBUODXGUVOHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-12-3-5-13(6-4-12)14-11-24-16-15(14)17(23)21(2)18(20-16)22-9-7-19-8-10-22/h3-6,11,19H,7-10H2,1-2H3.
What are the key properties of 3-methyl-5-(4-methylphenyl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-one?
3-methyl-5-(4-methylphenyl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 340.45 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(4-methylphenyl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 39163546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).