2-[(6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid

C16H16N4O2S — CID 91965573

IUPAC2-[(6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
SMILESCCc1cc2c(NC(C)C(=O)O)nc(-c3cccnc3)nc2s1
InChIInChI=1S/C16H16N4O2S/c1-3-11-7-12-14(18-9(2)16(21)22)19-13(20-15(12)23-11)10-5-4-6-17-8-10/h4-9H,3H2,1-2H3,(H,21,22)(H,18,19,20)
InChIKeyBFEOLWLIQBLLNE-UHFFFAOYSA-N
MW328.40 g/mol
LogP3.20
Rot. Bonds5

About 2-[(6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid

2-[(6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid (PubChem CID 91965573) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 2-[(6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
PubChem CID91965573
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name2-[(6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
SMILESCCc1cc2c(NC(C)C(=O)O)nc(-c3cccnc3)nc2s1
InChIInChI=1S/C16H16N4O2S/c1-3-11-7-12-14(18-9(2)16(21)22)19-13(20-15(12)23-11)10-5-4-6-17-8-10/h4-9H,3H2,1-2H3,(H,21,22)(H,18,19,20)
InChIKeyBFEOLWLIQBLLNE-UHFFFAOYSA-N
XLogP3.20
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid 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

2-[(6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 91965311
(2S)-2-[(6-ethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 30254006
N-(3,5-dichlorophenyl)-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 91965281
methyl 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 103326065
2-[(2,6-diethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanoic acid
CID 56699224
(2R)-N-propyl-2-[(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)amino]propanamide
CID 40952476
4-(3,5-dimethylpyrazol-1-yl)-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 91965594
2-[(2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 50947008
4-(6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-2,6-dimethylmorpholine
CID 91965364
3-methyl-2-[(6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
CID 91965550
N,6-diethyl-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 63615787
ethyl 2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 103332795

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid?
The IUPAC name of 2-[(6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid (CID 91965573) is 2-[(6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid.
What is the SMILES notation for 2-[(6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid?
The canonical SMILES for 2-[(6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid is CCc1cc2c(NC(C)C(=O)O)nc(-c3cccnc3)nc2s1.
What is the InChIKey of 2-[(6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid?
The InChIKey is BFEOLWLIQBLLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-3-11-7-12-14(18-9(2)16(21)22)19-13(20-15(12)23-11)10-5-4-6-17-8-10/h4-9H,3H2,1-2H3,(H,21,22)(H,18,19,20).
What are the key properties of 2-[(6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid?
2-[(6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid has a molecular weight of 328.40 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid is sourced from PubChem (CID 91965573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).