4-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine

C18H24N6S — CID 50949882

IUPAC4-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine
SMILESCCc1nc(CN2CCN(c3ncnc4scc(C)c34)CC2)c(C)[nH]1
InChIInChI=1S/C18H24N6S/c1-4-15-21-13(3)14(22-15)9-23-5-7-24(8-6-23)17-16-12(2)10-25-18(16)20-11-19-17/h10-11H,4-9H2,1-3H3,(H,21,22)
InChIKeyVLOJHJLFNJSSLL-UHFFFAOYSA-N
MW356.50 g/mol
LogP2.92
Rot. Bonds4

About 4-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine

4-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine (PubChem CID 50949882) has the molecular formula C18H24N6S and a molecular weight of 356.50 g/mol. Its IUPAC name is 4-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine
PubChem CID50949882
Molecular FormulaC18H24N6S
Molecular Weight356.50 g/mol
Exact Mass356.18
IUPAC Name4-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine
SMILESCCc1nc(CN2CCN(c3ncnc4scc(C)c34)CC2)c(C)[nH]1
InChIInChI=1S/C18H24N6S/c1-4-15-21-13(3)14(22-15)9-23-5-7-24(8-6-23)17-16-12(2)10-25-18(16)20-11-19-17/h10-11H,4-9H2,1-3H3,(H,21,22)
InChIKeyVLOJHJLFNJSSLL-UHFFFAOYSA-N
XLogP2.92
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine (CID 50949882) is 4-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine is CCc1nc(CN2CCN(c3ncnc4scc(C)c34)CC2)c(C)[nH]1.
What is the InChIKey of 4-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine?
The InChIKey is VLOJHJLFNJSSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6S/c1-4-15-21-13(3)14(22-15)9-23-5-7-24(8-6-23)17-16-12(2)10-25-18(16)20-11-19-17/h10-11H,4-9H2,1-3H3,(H,21,22).
What are the key properties of 4-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine?
4-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine has a molecular weight of 356.50 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 50949882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).