5-(4-methoxyphenyl)-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine

C22H21N3OS — CID 46347943

IUPAC5-(4-methoxyphenyl)-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2csc3ncnc(NCCCc4ccccc4)c23)cc1
InChIInChI=1S/C22H21N3OS/c1-26-18-11-9-17(10-12-18)19-14-27-22-20(19)21(24-15-25-22)23-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,14-15H,5,8,13H2,1H3,(H,23,24,25)
InChIKeyCLQOYWBILYDDRP-UHFFFAOYSA-N
MW375.50 g/mol
LogP5.41
Rot. Bonds7

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

5-(4-methoxyphenyl)-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 46347943) has the molecular formula C22H21N3OS and a molecular weight of 375.50 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID46347943
Molecular FormulaC22H21N3OS
Molecular Weight375.50 g/mol
Exact Mass375.14
IUPAC Name5-(4-methoxyphenyl)-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2csc3ncnc(NCCCc4ccccc4)c23)cc1
InChIInChI=1S/C22H21N3OS/c1-26-18-11-9-17(10-12-18)19-14-27-22-20(19)21(24-15-25-22)23-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,14-15H,5,8,13H2,1H3,(H,23,24,25)
InChIKeyCLQOYWBILYDDRP-UHFFFAOYSA-N
XLogP5.41
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.50
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(4-methoxyphenyl)-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-methylphenyl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 705842
N-(2-methoxyethyl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2116537
3-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid
CID 28841900
(2S)-1-N-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,2-diamine
CID 166304017
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
N'-[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]-N-naphthalen-1-ylethane-1,2-diamine
CID 28505101
4-[[5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]butanoic acid
CID 28840699
N-[(E)-(4-methoxyphenyl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 10522535
5-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 18224691
1-(3-fluorophenyl)-N'-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]-N,N-dimethylethane-1,2-diamine
CID 166186008
methyl 4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]butanoate
CID 9195748

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-methoxyphenyl)-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine (CID 46347943) is 5-(4-methoxyphenyl)-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine is COc1ccc(-c2csc3ncnc(NCCCc4ccccc4)c23)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is CLQOYWBILYDDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3OS/c1-26-18-11-9-17(10-12-18)19-14-27-22-20(19)21(24-15-25-22)23-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,14-15H,5,8,13H2,1H3,(H,23,24,25).
What are the key properties of 5-(4-methoxyphenyl)-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine?
5-(4-methoxyphenyl)-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 375.50 g/mol, XLogP of 5.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 46347943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).