6-ethyl-4-[4-(2-methylphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine

C19H22N4S — CID 962678

IUPAC6-ethyl-4-[4-(2-methylphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCN(c4ccccc4C)CC3)ncnc2s1
InChIInChI=1S/C19H22N4S/c1-3-15-12-16-18(20-13-21-19(16)24-15)23-10-8-22(9-11-23)17-7-5-4-6-14(17)2/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyBYDDDUFWZKJPSW-UHFFFAOYSA-N
MW338.48 g/mol
LogP3.89
Rot. Bonds3

About 6-ethyl-4-[4-(2-methylphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine

6-ethyl-4-[4-(2-methylphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 962678) has the molecular formula C19H22N4S and a molecular weight of 338.48 g/mol. Its IUPAC name is 6-ethyl-4-[4-(2-methylphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-ethyl-4-[4-(2-methylphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID962678
Molecular FormulaC19H22N4S
Molecular Weight338.48 g/mol
Exact Mass338.16
IUPAC Name6-ethyl-4-[4-(2-methylphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCN(c4ccccc4C)CC3)ncnc2s1
InChIInChI=1S/C19H22N4S/c1-3-15-12-16-18(20-13-21-19(16)24-15)23-10-8-22(9-11-23)17-7-5-4-6-14(17)2/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyBYDDDUFWZKJPSW-UHFFFAOYSA-N
XLogP3.89
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-[4-(2-methylphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 6-ethyl-4-[4-(2-methylphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine (CID 962678) is 6-ethyl-4-[4-(2-methylphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-ethyl-4-[4-(2-methylphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 6-ethyl-4-[4-(2-methylphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine is CCc1cc2c(N3CCN(c4ccccc4C)CC3)ncnc2s1.
What is the InChIKey of 6-ethyl-4-[4-(2-methylphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is BYDDDUFWZKJPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4S/c1-3-15-12-16-18(20-13-21-19(16)24-15)23-10-8-22(9-11-23)17-7-5-4-6-14(17)2/h4-7,12-13H,3,8-11H2,1-2H3.
What are the key properties of 6-ethyl-4-[4-(2-methylphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
6-ethyl-4-[4-(2-methylphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 338.48 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-[4-(2-methylphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 962678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).