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

C19H21N3OS — CID 50909782

IUPAC4-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCOc1ccccc1CC1CCN(c2ncnc3sccc23)CC1
InChIInChI=1S/C19H21N3OS/c1-23-17-5-3-2-4-15(17)12-14-6-9-22(10-7-14)18-16-8-11-24-19(16)21-13-20-18/h2-5,8,11,13-14H,6-7,9-10,12H2,1H3
InChIKeyLLVMHKPGTPNWLB-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.16
Rot. Bonds4

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

4-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 50909782) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 4-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID50909782
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name4-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCOc1ccccc1CC1CCN(c2ncnc3sccc23)CC1
InChIInChI=1S/C19H21N3OS/c1-23-17-5-3-2-4-15(17)12-14-6-9-22(10-7-14)18-16-8-11-24-19(16)21-13-20-18/h2-5,8,11,13-14H,6-7,9-10,12H2,1H3
InChIKeyLLVMHKPGTPNWLB-UHFFFAOYSA-N
XLogP4.16
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 4811206
N-[(2-methoxyphenyl)methyl]-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide
CID 78847119
4-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 133390610
4-[3-(chloromethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 63390055
4-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]thieno[2,3-d]pyrimidine
CID 154581116
4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)thieno[2,3-d]pyrimidine
CID 157019262
4-(4-pyrrol-1-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 56822117
4-[3-(bromomethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 80679387
4-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 165435681
2-[methyl-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)amino]ethanol
CID 39817579
4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 154583426
N-[(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 86773701

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 4-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine (CID 50909782) is 4-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine is COc1ccccc1CC1CCN(c2ncnc3sccc23)CC1.
What is the InChIKey of 4-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is LLVMHKPGTPNWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-23-17-5-3-2-4-15(17)12-14-6-9-22(10-7-14)18-16-8-11-24-19(16)21-13-20-18/h2-5,8,11,13-14H,6-7,9-10,12H2,1H3.
What are the key properties of 4-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine?
4-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 339.46 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 50909782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).