4-[3-[(4-methylphenyl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine

C19H21N3S — CID 53230258

IUPAC4-[3-[(4-methylphenyl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCc1ccc(CC2CCCN(c3ncnc4sccc34)C2)cc1
InChIInChI=1S/C19H21N3S/c1-14-4-6-15(7-5-14)11-16-3-2-9-22(12-16)18-17-8-10-23-19(17)21-13-20-18/h4-8,10,13,16H,2-3,9,11-12H2,1H3
InChIKeyAATZQGPHCZVBLL-UHFFFAOYSA-N
MW323.47 g/mol
LogP4.46
Rot. Bonds3

About 4-[3-[(4-methylphenyl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine

4-[3-[(4-methylphenyl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 53230258) has the molecular formula C19H21N3S and a molecular weight of 323.47 g/mol. Its IUPAC name is 4-[3-[(4-methylphenyl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[3-[(4-methylphenyl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID53230258
Molecular FormulaC19H21N3S
Molecular Weight323.47 g/mol
Exact Mass323.15
IUPAC Name4-[3-[(4-methylphenyl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCc1ccc(CC2CCCN(c3ncnc4sccc34)C2)cc1
InChIInChI=1S/C19H21N3S/c1-14-4-6-15(7-5-14)11-16-3-2-9-22(12-16)18-17-8-10-23-19(17)21-13-20-18/h4-8,10,13,16H,2-3,9,11-12H2,1H3
InChIKeyAATZQGPHCZVBLL-UHFFFAOYSA-N
XLogP4.46
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(1,3-benzodioxol-5-ylmethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 53230281
2-methyl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)methyl]propan-2-amine
CID 62588139
4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 133342026
1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-ol
CID 18074911
(3R)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-ol
CID 9283193
2-methyl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)methyl]propan-1-amine
CID 62587427
4-[3-(chloromethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 63390055
4-[3-(bromomethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 80679387
4-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 133390610
N-[(4-methylphenyl)methyl]-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide
CID 133356434
4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]thieno[2,3-d]pyrimidine
CID 11936596
1-[(4-methylphenyl)methyl]-4-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 112814492

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-methylphenyl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 4-[3-[(4-methylphenyl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine (CID 53230258) is 4-[3-[(4-methylphenyl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[3-[(4-methylphenyl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[3-[(4-methylphenyl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine is Cc1ccc(CC2CCCN(c3ncnc4sccc34)C2)cc1.
What is the InChIKey of 4-[3-[(4-methylphenyl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is AATZQGPHCZVBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3S/c1-14-4-6-15(7-5-14)11-16-3-2-9-22(12-16)18-17-8-10-23-19(17)21-13-20-18/h4-8,10,13,16H,2-3,9,11-12H2,1H3.
What are the key properties of 4-[3-[(4-methylphenyl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine?
4-[3-[(4-methylphenyl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 323.47 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-methylphenyl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 53230258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).