1-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)methanamine

C23H24N4S2 — CID 127024573

IUPAC1-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)methanamine
SMILESc1ccc(-c2csc3ncnc(N4CCC(CNCc5cccs5)CC4)c23)cc1
InChIInChI=1S/C23H24N4S2/c1-2-5-18(6-3-1)20-15-29-23-21(20)22(25-16-26-23)27-10-8-17(9-11-27)13-24-14-19-7-4-12-28-19/h1-7,12,15-17,24H,8-11,13-14H2
InChIKeyFGVMKDCOAGQONL-UHFFFAOYSA-N
MW420.61 g/mol
LogP5.43
Rot. Bonds6

About 1-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)methanamine

1-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 127024573) has the molecular formula C23H24N4S2 and a molecular weight of 420.61 g/mol. Its IUPAC name is 1-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)methanamine
PubChem CID127024573
Molecular FormulaC23H24N4S2
Molecular Weight420.61 g/mol
Exact Mass420.14
IUPAC Name1-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)methanamine
SMILESc1ccc(-c2csc3ncnc(N4CCC(CNCc5cccs5)CC4)c23)cc1
InChIInChI=1S/C23H24N4S2/c1-2-5-18(6-3-1)20-15-29-23-21(20)22(25-16-26-23)27-10-8-17(9-11-27)13-24-14-19-7-4-12-28-19/h1-7,12,15-17,24H,8-11,13-14H2
InChIKeyFGVMKDCOAGQONL-UHFFFAOYSA-N
XLogP5.43
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.61
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-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
4-(4-benzylpiperidin-1-yl)-5-(4-nitrophenyl)thieno[2,3-d]pyrimidine
CID 118712225
3-methyl-5-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 55885848
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
[8-(5-phenylthieno[2,3-d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 140661432
4-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine
CID 6988753
1-(2,3-difluoro-4-methoxyphenoxy)-3-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]propan-2-ol
CID 69045288
ethyl 1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate
CID 9280165

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)methanamine (CID 127024573) is 1-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)methanamine is c1ccc(-c2csc3ncnc(N4CCC(CNCc5cccs5)CC4)c23)cc1.
What is the InChIKey of 1-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is FGVMKDCOAGQONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4S2/c1-2-5-18(6-3-1)20-15-29-23-21(20)22(25-16-26-23)27-10-8-17(9-11-27)13-24-14-19-7-4-12-28-19/h1-7,12,15-17,24H,8-11,13-14H2.
What are the key properties of 1-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)methanamine?
1-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 420.61 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 127024573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).