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

C14H19N3O2S — CID 30254006

IUPAC(2S)-2-[(6-ethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
SMILESCCc1cc2c(N[C@@H](C)C(=O)O)nc(C(C)C)nc2s1
InChIInChI=1S/C14H19N3O2S/c1-5-9-6-10-12(15-8(4)14(18)19)16-11(7(2)3)17-13(10)20-9/h6-8H,5H2,1-4H3,(H,18,19)(H,15,16,17)/t8-/m0/s1
InChIKeyKZNKTVBDJJZJBK-QMMMGPOBSA-N
MW293.39 g/mol
LogP3.26
Rot. Bonds5

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

(2S)-2-[(6-ethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid (PubChem CID 30254006) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is (2S)-2-[(6-ethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(6-ethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
PubChem CID30254006
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name(2S)-2-[(6-ethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
SMILESCCc1cc2c(N[C@@H](C)C(=O)O)nc(C(C)C)nc2s1
InChIInChI=1S/C14H19N3O2S/c1-5-9-6-10-12(15-8(4)14(18)19)16-11(7(2)3)17-13(10)20-9/h6-8H,5H2,1-4H3,(H,18,19)(H,15,16,17)/t8-/m0/s1
InChIKeyKZNKTVBDJJZJBK-QMMMGPOBSA-N
XLogP3.26
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[(6-ethyl-2-propan-2-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

(2R)-2-[(6-ethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylsulfanylbutanoic acid
CID 30254002
4-[(6-ethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
CID 16610321
4-[(6-ethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid
CID 16627344
2-[(6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 91965573
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
2-[(2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 50947008
2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanoic acid
CID 6487537
ethyl 2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 103332795
2-[(2-propan-2-ylquinazolin-4-yl)amino]propanoic acid
CID 21003858
4-amino-2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-4-oxobutanoic acid
CID 82066413
methyl 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 62005776

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-ethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(6-ethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid (CID 30254006) is (2S)-2-[(6-ethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(6-ethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(6-ethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid is CCc1cc2c(N[C@@H](C)C(=O)O)nc(C(C)C)nc2s1.
What is the InChIKey of (2S)-2-[(6-ethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid?
The InChIKey is KZNKTVBDJJZJBK-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-5-9-6-10-12(15-8(4)14(18)19)16-11(7(2)3)17-13(10)20-9/h6-8H,5H2,1-4H3,(H,18,19)(H,15,16,17)/t8-/m0/s1.
What are the key properties of (2S)-2-[(6-ethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid?
(2S)-2-[(6-ethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid has a molecular weight of 293.39 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-ethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid is sourced from PubChem (CID 30254006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).