2-(4-methylphenyl)-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanamine

C19H23N5S — CID 143569190

IUPAC2-(4-methylphenyl)-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanamine
SMILESCc1ccc(C(CN)N2CCN(c3ncnc4ccsc34)CC2)cc1
InChIInChI=1S/C19H23N5S/c1-14-2-4-15(5-3-14)17(12-20)23-7-9-24(10-8-23)19-18-16(6-11-25-18)21-13-22-19/h2-6,11,13,17H,7-10,12,20H2,1H3
InChIKeyFBZZZSFXGRXIHA-UHFFFAOYSA-N
MW353.50 g/mol
LogP2.82
Rot. Bonds4

About 2-(4-methylphenyl)-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanamine

2-(4-methylphenyl)-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanamine (PubChem CID 143569190) has the molecular formula C19H23N5S and a molecular weight of 353.50 g/mol. Its IUPAC name is 2-(4-methylphenyl)-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-methylphenyl)-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanamine
PubChem CID143569190
Molecular FormulaC19H23N5S
Molecular Weight353.50 g/mol
Exact Mass353.17
IUPAC Name2-(4-methylphenyl)-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanamine
SMILESCc1ccc(C(CN)N2CCN(c3ncnc4ccsc34)CC2)cc1
InChIInChI=1S/C19H23N5S/c1-14-2-4-15(5-3-14)17(12-20)23-7-9-24(10-8-23)19-18-16(6-11-25-18)21-13-22-19/h2-6,11,13,17H,7-10,12,20H2,1H3
InChIKeyFBZZZSFXGRXIHA-UHFFFAOYSA-N
XLogP2.82
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.50
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(4-methylphenyl)-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanamine (CID 143569190) is 2-(4-methylphenyl)-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-methylphenyl)-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(4-methylphenyl)-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanamine is Cc1ccc(C(CN)N2CCN(c3ncnc4ccsc34)CC2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanamine?
The InChIKey is FBZZZSFXGRXIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5S/c1-14-2-4-15(5-3-14)17(12-20)23-7-9-24(10-8-23)19-18-16(6-11-25-18)21-13-22-19/h2-6,11,13,17H,7-10,12,20H2,1H3.
What are the key properties of 2-(4-methylphenyl)-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanamine?
2-(4-methylphenyl)-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanamine has a molecular weight of 353.50 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 143569190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).