(2R)-3-methyl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate

C14H18N3O2S- — CID 7456433

IUPAC(2R)-3-methyl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate
SMILESCc1nc(N[C@@H](C(=O)[O-])C(C)C)c2c(C)c(C)sc2n1
InChIInChI=1S/C14H19N3O2S/c1-6(2)11(14(18)19)17-12-10-7(3)8(4)20-13(10)16-9(5)15-12/h6,11H,1-5H3,(H,18,19)(H,15,16,17)/p-1/t11-/m1/s1
InChIKeyVJQYMYVEUPJKOC-LLVKDONJSA-M
MW292.38 g/mol
LogP1.80
Rot. Bonds4

About (2R)-3-methyl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate

(2R)-3-methyl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate (PubChem CID 7456433) has the molecular formula C14H18N3O2S- and a molecular weight of 292.38 g/mol. Its IUPAC name is (2R)-3-methyl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate.

Molecular Properties

Compound Name(2R)-3-methyl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate
PubChem CID7456433
Molecular FormulaC14H18N3O2S-
Molecular Weight292.38 g/mol
Exact Mass292.11
IUPAC Name(2R)-3-methyl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate
SMILESCc1nc(N[C@@H](C(=O)[O-])C(C)C)c2c(C)c(C)sc2n1
InChIInChI=1S/C14H19N3O2S/c1-6(2)11(14(18)19)17-12-10-7(3)8(4)20-13(10)16-9(5)15-12/h6,11H,1-5H3,(H,18,19)(H,15,16,17)/p-1/t11-/m1/s1
InChIKeyVJQYMYVEUPJKOC-LLVKDONJSA-M
XLogP1.80
TPSA77.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-3-methyl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate 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

(2S)-3-methyl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
CID 7456431
methyl 2,5-dimethyl-4-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]thieno[2,3-d]pyrimidine-6-carboxylate
CID 133388152
(2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanoic acid
CID 1076131
(2S,3S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanoate
CID 6939424
2-[(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanoic acid
CID 91965606
N-(3-methylbutyl)-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39085132
2-[(6-methoxycarbonyl-2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 122058347
N-[(2S)-3-methylbutan-2-yl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 7680321
1-piperidin-1-yl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone
CID 39082060
2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanamide
CID 133492838
2-[(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-hydroxybutanoic acid
CID 91964721
methyl 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanoate
CID 18775686

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate?
The IUPAC name of (2R)-3-methyl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate (CID 7456433) is (2R)-3-methyl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate.
What is the SMILES notation for (2R)-3-methyl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate?
The canonical SMILES for (2R)-3-methyl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate is Cc1nc(N[C@@H](C(=O)[O-])C(C)C)c2c(C)c(C)sc2n1.
What is the InChIKey of (2R)-3-methyl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate?
The InChIKey is VJQYMYVEUPJKOC-LLVKDONJSA-M. The full InChI is InChI=1S/C14H19N3O2S/c1-6(2)11(14(18)19)17-12-10-7(3)8(4)20-13(10)16-9(5)15-12/h6,11H,1-5H3,(H,18,19)(H,15,16,17)/p-1/t11-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate?
(2R)-3-methyl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate has a molecular weight of 292.38 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate is sourced from PubChem (CID 7456433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).