4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-6-phenylthieno[2,3-d]pyrimidine

C19H23N4S+ — CID 4161037

IUPAC4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-6-phenylthieno[2,3-d]pyrimidine
SMILESCC[NH+]1CCN(c2nc(C)nc3sc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C19H22N4S/c1-3-22-9-11-23(12-10-22)18-16-13-17(15-7-5-4-6-8-15)24-19(16)21-14(2)20-18/h4-8,13H,3,9-12H2,1-2H3/p+1
InChIKeyCWQYMWNABHHDQG-UHFFFAOYSA-O
MW339.49 g/mol
LogP2.39
Rot. Bonds3

About 4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-6-phenylthieno[2,3-d]pyrimidine

4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-6-phenylthieno[2,3-d]pyrimidine (PubChem CID 4161037) has the molecular formula C19H23N4S+ and a molecular weight of 339.49 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-6-phenylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-6-phenylthieno[2,3-d]pyrimidine
PubChem CID4161037
Molecular FormulaC19H23N4S+
Molecular Weight339.49 g/mol
Exact Mass339.16
IUPAC Name4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-6-phenylthieno[2,3-d]pyrimidine
SMILESCC[NH+]1CCN(c2nc(C)nc3sc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C19H22N4S/c1-3-22-9-11-23(12-10-22)18-16-13-17(15-7-5-4-6-8-15)24-19(16)21-14(2)20-18/h4-8,13H,3,9-12H2,1-2H3/p+1
InChIKeyCWQYMWNABHHDQG-UHFFFAOYSA-O
XLogP2.39
TPSA33.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-6-phenylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-6-phenylthieno[2,3-d]pyrimidine (CID 4161037) is 4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-6-phenylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-6-phenylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-6-phenylthieno[2,3-d]pyrimidine is CC[NH+]1CCN(c2nc(C)nc3sc(-c4ccccc4)cc23)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-6-phenylthieno[2,3-d]pyrimidine?
The InChIKey is CWQYMWNABHHDQG-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22N4S/c1-3-22-9-11-23(12-10-22)18-16-13-17(15-7-5-4-6-8-15)24-19(16)21-14(2)20-18/h4-8,13H,3,9-12H2,1-2H3/p+1.
What are the key properties of 4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-6-phenylthieno[2,3-d]pyrimidine?
4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-6-phenylthieno[2,3-d]pyrimidine has a molecular weight of 339.49 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-6-phenylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 4161037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).