4-(4-methylpiperazin-1-yl)-5-(3,4,5-trimethylphenyl)thieno[2,3-d]pyrimidine

C20H24N4S — CID 985285

IUPAC4-(4-methylpiperazin-1-yl)-5-(3,4,5-trimethylphenyl)thieno[2,3-d]pyrimidine
SMILESCc1cc(-c2csc3ncnc(N4CCN(C)CC4)c23)cc(C)c1C
InChIInChI=1S/C20H24N4S/c1-13-9-16(10-14(2)15(13)3)17-11-25-20-18(17)19(21-12-22-20)24-7-5-23(4)6-8-24/h9-12H,5-8H2,1-4H3
InChIKeyAJZGIXINMTXXIY-UHFFFAOYSA-N
MW352.51 g/mol
LogP4.04
Rot. Bonds2

About 4-(4-methylpiperazin-1-yl)-5-(3,4,5-trimethylphenyl)thieno[2,3-d]pyrimidine

4-(4-methylpiperazin-1-yl)-5-(3,4,5-trimethylphenyl)thieno[2,3-d]pyrimidine (PubChem CID 985285) has the molecular formula C20H24N4S and a molecular weight of 352.51 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-5-(3,4,5-trimethylphenyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-5-(3,4,5-trimethylphenyl)thieno[2,3-d]pyrimidine
PubChem CID985285
Molecular FormulaC20H24N4S
Molecular Weight352.51 g/mol
Exact Mass352.17
IUPAC Name4-(4-methylpiperazin-1-yl)-5-(3,4,5-trimethylphenyl)thieno[2,3-d]pyrimidine
SMILESCc1cc(-c2csc3ncnc(N4CCN(C)CC4)c23)cc(C)c1C
InChIInChI=1S/C20H24N4S/c1-13-9-16(10-14(2)15(13)3)17-11-25-20-18(17)19(21-12-22-20)24-7-5-23(4)6-8-24/h9-12H,5-8H2,1-4H3
InChIKeyAJZGIXINMTXXIY-UHFFFAOYSA-N
XLogP4.04
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.51
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-5-(3,4,5-trimethylphenyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-5-(3,4,5-trimethylphenyl)thieno[2,3-d]pyrimidine (CID 985285) is 4-(4-methylpiperazin-1-yl)-5-(3,4,5-trimethylphenyl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-5-(3,4,5-trimethylphenyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-5-(3,4,5-trimethylphenyl)thieno[2,3-d]pyrimidine is Cc1cc(-c2csc3ncnc(N4CCN(C)CC4)c23)cc(C)c1C.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-5-(3,4,5-trimethylphenyl)thieno[2,3-d]pyrimidine?
The InChIKey is AJZGIXINMTXXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4S/c1-13-9-16(10-14(2)15(13)3)17-11-25-20-18(17)19(21-12-22-20)24-7-5-23(4)6-8-24/h9-12H,5-8H2,1-4H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)-5-(3,4,5-trimethylphenyl)thieno[2,3-d]pyrimidine?
4-(4-methylpiperazin-1-yl)-5-(3,4,5-trimethylphenyl)thieno[2,3-d]pyrimidine has a molecular weight of 352.51 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-5-(3,4,5-trimethylphenyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 985285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).