4-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine

C22H22N5S+ — CID 6988753

IUPAC4-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine
SMILESCc1cccc(N2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)[nH+]1
InChIInChI=1S/C22H21N5S/c1-16-6-5-9-19(25-16)26-10-12-27(13-11-26)21-20-18(17-7-3-2-4-8-17)14-28-22(20)24-15-23-21/h2-9,14-15H,10-13H2,1H3/p+1
InChIKeyCAPRPXUTYSTMFN-UHFFFAOYSA-O
MW388.52 g/mol
LogP3.81
Rot. Bonds3

About 4-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine

4-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine (PubChem CID 6988753) has the molecular formula C22H22N5S+ and a molecular weight of 388.52 g/mol. Its IUPAC name is 4-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine
PubChem CID6988753
Molecular FormulaC22H22N5S+
Molecular Weight388.52 g/mol
Exact Mass388.16
IUPAC Name4-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine
SMILESCc1cccc(N2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)[nH+]1
InChIInChI=1S/C22H21N5S/c1-16-6-5-9-19(25-16)26-10-12-27(13-11-26)21-20-18(17-7-3-2-4-8-17)14-28-22(20)24-15-23-21/h2-9,14-15H,10-13H2,1H3/p+1
InChIKeyCAPRPXUTYSTMFN-UHFFFAOYSA-O
XLogP3.81
TPSA46.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine with MolForge

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Related Compounds

4-(4-methylpiperidin-1-yl)-5-phenylthieno[2,3-d]pyrimidine
CID 675438
4-(azepan-1-yl)-5-phenylthieno[2,3-d]pyrimidine
CID 758218
5-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 1186225
5-phenyl-4-piperazin-4-ium-1-ylthieno[2,3-d]pyrimidine
CID 6922306
[4-amino-1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol
CID 71931211
3-methyl-5-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 55885848
4-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine
CID 55680748
2-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetonitrile
CID 23736071
3-methyl-5-[[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 43069746
4-(4-benzylpiperazin-1-yl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine
CID 16553301
4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine
CID 1323094
5-(4-chlorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 1325173

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine (CID 6988753) is 4-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine is Cc1cccc(N2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)[nH+]1.
What is the InChIKey of 4-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine?
The InChIKey is CAPRPXUTYSTMFN-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H21N5S/c1-16-6-5-9-19(25-16)26-10-12-27(13-11-26)21-20-18(17-7-3-2-4-8-17)14-28-22(20)24-15-23-21/h2-9,14-15H,10-13H2,1H3/p+1.
What are the key properties of 4-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine?
4-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine has a molecular weight of 388.52 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 6988753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).