4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine

C18H18Cl2N4S — CID 1039191

IUPAC4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(N3CCN(c4ccc(Cl)c(Cl)c4)CC3)c2c1C
InChIInChI=1S/C18H18Cl2N4S/c1-11-12(2)25-18-16(11)17(21-10-22-18)24-7-5-23(6-8-24)13-3-4-14(19)15(20)9-13/h3-4,9-10H,5-8H2,1-2H3
InChIKeyULUTXPBTYUMGKO-UHFFFAOYSA-N
MW393.34 g/mol
LogP4.94
Rot. Bonds2

About 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine

4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine (PubChem CID 1039191) has the molecular formula C18H18Cl2N4S and a molecular weight of 393.34 g/mol. Its IUPAC name is 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
PubChem CID1039191
Molecular FormulaC18H18Cl2N4S
Molecular Weight393.34 g/mol
Exact Mass392.06
IUPAC Name4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(N3CCN(c4ccc(Cl)c(Cl)c4)CC3)c2c1C
InChIInChI=1S/C18H18Cl2N4S/c1-11-12(2)25-18-16(11)17(21-10-22-18)24-7-5-23(6-8-24)13-3-4-14(19)15(20)9-13/h3-4,9-10H,5-8H2,1-2H3
InChIKeyULUTXPBTYUMGKO-UHFFFAOYSA-N
XLogP4.94
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.34
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine (CID 1039191) is 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine is Cc1sc2ncnc(N3CCN(c4ccc(Cl)c(Cl)c4)CC3)c2c1C.
What is the InChIKey of 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine?
The InChIKey is ULUTXPBTYUMGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4S/c1-11-12(2)25-18-16(11)17(21-10-22-18)24-7-5-23(6-8-24)13-3-4-14(19)15(20)9-13/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine?
4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine has a molecular weight of 393.34 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 1039191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).