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

C24H25N5S — CID 127024839

IUPAC1-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)methanamine
SMILESc1ccc(-c2csc3ncnc(N4CCC(CNCc5ccccn5)CC4)c23)cc1
InChIInChI=1S/C24H25N5S/c1-2-6-19(7-3-1)21-16-30-24-22(21)23(27-17-28-24)29-12-9-18(10-13-29)14-25-15-20-8-4-5-11-26-20/h1-8,11,16-18,25H,9-10,12-15H2
InChIKeyQMAOFELLBUSCPY-UHFFFAOYSA-N
MW415.57 g/mol
LogP4.76
Rot. Bonds6

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

1-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 127024839) has the molecular formula C24H25N5S and a molecular weight of 415.57 g/mol. Its IUPAC name is 1-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)methanamine
PubChem CID127024839
Molecular FormulaC24H25N5S
Molecular Weight415.57 g/mol
Exact Mass415.18
IUPAC Name1-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)methanamine
SMILESc1ccc(-c2csc3ncnc(N4CCC(CNCc5ccccn5)CC4)c23)cc1
InChIInChI=1S/C24H25N5S/c1-2-6-19(7-3-1)21-16-30-24-22(21)23(27-17-28-24)29-12-9-18(10-13-29)14-25-15-20-8-4-5-11-26-20/h1-8,11,16-18,25H,9-10,12-15H2
InChIKeyQMAOFELLBUSCPY-UHFFFAOYSA-N
XLogP4.76
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.57
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Benzyl-1-(thieno(2,3-d)pyrimidin-4-yl)piperidine
CID 2100018
1,3-Benzothiazol-2-yl(2-((2-(3-pyridinyl)ethyl)amino)-4-pyrimidinyl)acetonitrile
CID 10109823
2-(4-Chloro-5-phenylthieno(2,3-d)pyrimidin-2-yl)pyridine
CID 2535143
N4-isobutyl-N2-((2-phenylthiazol-4-yl)methyl)pyrimidine-2,4-diamine
CID 71304818
7,9-Dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-amine
CID 695484
Thienopyrimidine deriv. 60
CID 6540010
Thienopyrimidine deriv. 82
CID 6540015
Thienopyrimidine deriv. 83
CID 6540016
12-methyl-4-phenyl-N-[2-(piperidin-1-yl)ethyl]-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823975
12-Phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 25190906
8-Thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 25190908
(2s)-3-Phenyl-N~1~-[2-(Pyridin-4-Yl)-5,6,7,8-Tetrahydro[1]benzothieno[2,3-D]pyrimidin-4-Yl]propane-1,2-Diamine
CID 70702288

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of 1-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)methanamine (CID 127024839) is 1-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for 1-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)methanamine is c1ccc(-c2csc3ncnc(N4CCC(CNCc5ccccn5)CC4)c23)cc1.
What is the InChIKey of 1-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is QMAOFELLBUSCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5S/c1-2-6-19(7-3-1)21-16-30-24-22(21)23(27-17-28-24)29-12-9-18(10-13-29)14-25-15-20-8-4-5-11-26-20/h1-8,11,16-18,25H,9-10,12-15H2.
What are the key properties of 1-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)methanamine?
1-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 415.57 g/mol, XLogP of 4.76, 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-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 127024839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).