4-(4-methylpiperidin-1-yl)-5-phenylthieno[2,3-d]pyrimidine

C18H19N3S — CID 675438

IUPAC4-(4-methylpiperidin-1-yl)-5-phenylthieno[2,3-d]pyrimidine
SMILESCC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIInChI=1S/C18H19N3S/c1-13-7-9-21(10-8-13)17-16-15(14-5-3-2-4-6-14)11-22-18(16)20-12-19-17/h2-6,11-13H,7-10H2,1H3
InChIKeyLGHDDAZTYXWPNN-UHFFFAOYSA-N
MW309.44 g/mol
LogP4.59
Rot. Bonds2

About 4-(4-methylpiperidin-1-yl)-5-phenylthieno[2,3-d]pyrimidine

4-(4-methylpiperidin-1-yl)-5-phenylthieno[2,3-d]pyrimidine (PubChem CID 675438) has the molecular formula C18H19N3S and a molecular weight of 309.44 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)-5-phenylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)-5-phenylthieno[2,3-d]pyrimidine
PubChem CID675438
Molecular FormulaC18H19N3S
Molecular Weight309.44 g/mol
Exact Mass309.13
IUPAC Name4-(4-methylpiperidin-1-yl)-5-phenylthieno[2,3-d]pyrimidine
SMILESCC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIInChI=1S/C18H19N3S/c1-13-7-9-21(10-8-13)17-16-15(14-5-3-2-4-6-14)11-22-18(16)20-12-19-17/h2-6,11-13H,7-10H2,1H3
InChIKeyLGHDDAZTYXWPNN-UHFFFAOYSA-N
XLogP4.59
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-methylpiperidin-1-yl)-5-phenylthieno[2,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(azepan-1-yl)-5-phenylthieno[2,3-d]pyrimidine
CID 758218
5-phenyl-4-piperazin-4-ium-1-ylthieno[2,3-d]pyrimidine
CID 6922306
3-methyl-5-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 55885848
4-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine
CID 6988753
5-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 1186225
[4-amino-1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol
CID 71931211
4-(4-methylpiperidin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 2575882
1-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 127024573
2-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetonitrile
CID 23736071
4-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine
CID 55680748
4-(4-benzylpiperidin-1-yl)-5-(4-nitrophenyl)thieno[2,3-d]pyrimidine
CID 118712225
3-methyl-5-[[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 43069746

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)-5-phenylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(4-methylpiperidin-1-yl)-5-phenylthieno[2,3-d]pyrimidine (CID 675438) is 4-(4-methylpiperidin-1-yl)-5-phenylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)-5-phenylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)-5-phenylthieno[2,3-d]pyrimidine is CC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)-5-phenylthieno[2,3-d]pyrimidine?
The InChIKey is LGHDDAZTYXWPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3S/c1-13-7-9-21(10-8-13)17-16-15(14-5-3-2-4-6-14)11-22-18(16)20-12-19-17/h2-6,11-13H,7-10H2,1H3.
What are the key properties of 4-(4-methylpiperidin-1-yl)-5-phenylthieno[2,3-d]pyrimidine?
4-(4-methylpiperidin-1-yl)-5-phenylthieno[2,3-d]pyrimidine has a molecular weight of 309.44 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)-5-phenylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 675438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).