5-(4-methylphenyl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine

C21H19N3S — CID 705842

IUPAC5-(4-methylphenyl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-c2csc3ncnc(NCCc4ccccc4)c23)cc1
InChIInChI=1S/C21H19N3S/c1-15-7-9-17(10-8-15)18-13-25-21-19(18)20(23-14-24-21)22-12-11-16-5-3-2-4-6-16/h2-10,13-14H,11-12H2,1H3,(H,22,23,24)
InChIKeyVULDVDNPUDDOQI-UHFFFAOYSA-N
MW345.47 g/mol
LogP5.32
Rot. Bonds5

About 5-(4-methylphenyl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine

5-(4-methylphenyl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 705842) has the molecular formula C21H19N3S and a molecular weight of 345.47 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-methylphenyl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID705842
Molecular FormulaC21H19N3S
Molecular Weight345.47 g/mol
Exact Mass345.13
IUPAC Name5-(4-methylphenyl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-c2csc3ncnc(NCCc4ccccc4)c23)cc1
InChIInChI=1S/C21H19N3S/c1-15-7-9-17(10-8-15)18-13-25-21-19(18)20(23-14-24-21)22-12-11-16-5-3-2-4-6-16/h2-10,13-14H,11-12H2,1H3,(H,22,23,24)
InChIKeyVULDVDNPUDDOQI-UHFFFAOYSA-N
XLogP5.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.47
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methoxyphenyl)-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 46347943
4-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 2424566
5-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 17010811
5-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 28849745
methyl 3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 4963724
5-(4-methylphenyl)-N-(2-phenylethenyl)thieno[2,3-d]pyrimidin-4-amine
CID 174494783
5-phenyl-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine
CID 3151763
N-[(6-methyl-2-pyridinyl)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 68621787
4-[[5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]butanoic acid
CID 28840699
5-(4-methylphenyl)-N-(3-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2391301
5-(4-methylphenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
CID 46559664
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 28505127

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-methylphenyl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine (CID 705842) is 5-(4-methylphenyl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-methylphenyl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-methylphenyl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine is Cc1ccc(-c2csc3ncnc(NCCc4ccccc4)c23)cc1.
What is the InChIKey of 5-(4-methylphenyl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is VULDVDNPUDDOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3S/c1-15-7-9-17(10-8-15)18-13-25-21-19(18)20(23-14-24-21)22-12-11-16-5-3-2-4-6-16/h2-10,13-14H,11-12H2,1H3,(H,22,23,24).
What are the key properties of 5-(4-methylphenyl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
5-(4-methylphenyl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 345.47 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 705842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).