2-methyl-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid

C20H21N3O2S — CID 28843697

IUPAC2-methyl-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid
SMILESCC(C)(Nc1ncnc2scc(-c3ccc4c(c3)CCCC4)c12)C(=O)O
InChIInChI=1S/C20H21N3O2S/c1-20(2,19(24)25)23-17-16-15(10-26-18(16)22-11-21-17)14-8-7-12-5-3-4-6-13(12)9-14/h7-11H,3-6H2,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyUGNDJPOOPKPLAP-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.51
Rot. Bonds4

About 2-methyl-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid

2-methyl-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid (PubChem CID 28843697) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-methyl-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid
PubChem CID28843697
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name2-methyl-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid
SMILESCC(C)(Nc1ncnc2scc(-c3ccc4c(c3)CCCC4)c12)C(=O)O
InChIInChI=1S/C20H21N3O2S/c1-20(2,19(24)25)23-17-16-15(10-26-18(16)22-11-21-17)14-8-7-12-5-3-4-6-13(12)9-14/h7-11H,3-6H2,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyUGNDJPOOPKPLAP-UHFFFAOYSA-N
XLogP4.51
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid
CID 21012326
N-(4-methylphenyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 21011783
2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-4-yl]amino]phenol
CID 21011492
N-(2-chloro-4,6-dimethylphenyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 110659949
4-ethylsulfonyl-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-4-yl]amino]phenol
CID 21011851
N-(3,4-diethoxyphenyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 28505249
4-[[5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]butanoic acid
CID 28840699
ethyl 2-[4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-3-yl]propanoate
CID 44636660
2-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propanoic acid
CID 61265918
2-[4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-3-yl]-N-phenylacetamide
CID 7710267
2-(2,3-dihydro-1H-inden-5-ylamino)-2-methylpropanoic acid
CID 114988661
N-butan-2-yl-2-[4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-3-yl]acetamide
CID 23410681

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid (CID 28843697) is 2-methyl-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid is CC(C)(Nc1ncnc2scc(-c3ccc4c(c3)CCCC4)c12)C(=O)O.
What is the InChIKey of 2-methyl-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid?
The InChIKey is UGNDJPOOPKPLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-20(2,19(24)25)23-17-16-15(10-26-18(16)22-11-21-17)14-8-7-12-5-3-4-6-13(12)9-14/h7-11H,3-6H2,1-2H3,(H,24,25)(H,21,22,23).
What are the key properties of 2-methyl-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid?
2-methyl-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid has a molecular weight of 367.47 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid is sourced from PubChem (CID 28843697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).