(2S)-1-N-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,2-diamine

C16H18N4OS — CID 166304017

IUPAC(2S)-1-N-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,2-diamine
SMILESCOc1ccc(-c2csc3ncnc(NC[C@H](C)N)c23)cc1
InChIInChI=1S/C16H18N4OS/c1-10(17)7-18-15-14-13(8-22-16(14)20-9-19-15)11-3-5-12(21-2)6-4-11/h3-6,8-10H,7,17H2,1-2H3,(H,18,19,20)/t10-/m0/s1
InChIKeyGLAWGJPYWGNIIS-JTQLQIEISA-N
MW314.41 g/mol
LogP3.13
Rot. Bonds5

About (2S)-1-N-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,2-diamine

(2S)-1-N-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,2-diamine (PubChem CID 166304017) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is (2S)-1-N-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,2-diamine
PubChem CID166304017
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC Name(2S)-1-N-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,2-diamine
SMILESCOc1ccc(-c2csc3ncnc(NC[C@H](C)N)c23)cc1
InChIInChI=1S/C16H18N4OS/c1-10(17)7-18-15-14-13(8-22-16(14)20-9-19-15)11-3-5-12(21-2)6-4-11/h3-6,8-10H,7,17H2,1-2H3,(H,18,19,20)/t10-/m0/s1
InChIKeyGLAWGJPYWGNIIS-JTQLQIEISA-N
XLogP3.13
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-1-N-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,2-diamine 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

N-(2-methoxyethyl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2116537
(1R)-2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-(1-methylpyrazol-4-yl)ethanol
CID 97318496
3-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid
CID 28841900
1-(3-fluorophenyl)-N'-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]-N,N-dimethylethane-1,2-diamine
CID 166186008
5-(4-methoxyphenyl)-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 46347943
(2R)-1-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propan-2-ol
CID 9310899
N-[3-methoxy-2-methyl-2-(4-propan-2-ylpiperazin-1-yl)propyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 166381316
5-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 18224691
5-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 46347959
N-[(2,5-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 46347907
5-(4-methoxyphenyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 26437418
N-(2,5-dimethylphenyl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21009652

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,2-diamine?
The IUPAC name of (2S)-1-N-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,2-diamine (CID 166304017) is (2S)-1-N-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,2-diamine.
What is the SMILES notation for (2S)-1-N-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,2-diamine?
The canonical SMILES for (2S)-1-N-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,2-diamine is COc1ccc(-c2csc3ncnc(NC[C@H](C)N)c23)cc1.
What is the InChIKey of (2S)-1-N-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,2-diamine?
The InChIKey is GLAWGJPYWGNIIS-JTQLQIEISA-N. The full InChI is InChI=1S/C16H18N4OS/c1-10(17)7-18-15-14-13(8-22-16(14)20-9-19-15)11-3-5-12(21-2)6-4-11/h3-6,8-10H,7,17H2,1-2H3,(H,18,19,20)/t10-/m0/s1.
What are the key properties of (2S)-1-N-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,2-diamine?
(2S)-1-N-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,2-diamine has a molecular weight of 314.41 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,2-diamine is sourced from PubChem (CID 166304017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).