2-(thieno[2,3-d]pyrimidin-4-ylamino)pentanoic acid

C11H13N3O2S — CID 43631382

IUPAC2-(thieno[2,3-d]pyrimidin-4-ylamino)pentanoic acid
SMILESCCCC(Nc1ncnc2sccc12)C(=O)O
InChIInChI=1S/C11H13N3O2S/c1-2-3-8(11(15)16)14-9-7-4-5-17-10(7)13-6-12-9/h4-6,8H,2-3H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyKIETZYFJRSOIDP-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.36
Rot. Bonds5

About 2-(thieno[2,3-d]pyrimidin-4-ylamino)pentanoic acid

2-(thieno[2,3-d]pyrimidin-4-ylamino)pentanoic acid (PubChem CID 43631382) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-(thieno[2,3-d]pyrimidin-4-ylamino)pentanoic acid.

Molecular Properties

Compound Name2-(thieno[2,3-d]pyrimidin-4-ylamino)pentanoic acid
PubChem CID43631382
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name2-(thieno[2,3-d]pyrimidin-4-ylamino)pentanoic acid
SMILESCCCC(Nc1ncnc2sccc12)C(=O)O
InChIInChI=1S/C11H13N3O2S/c1-2-3-8(11(15)16)14-9-7-4-5-17-10(7)13-6-12-9/h4-6,8H,2-3H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyKIETZYFJRSOIDP-UHFFFAOYSA-N
XLogP2.36
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(thieno[2,3-d]pyrimidin-4-ylamino)pentanoic 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)-3-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)butanoic acid
CID 93263493
2-(quinazolin-4-ylamino)pentanoic acid
CID 3356607
N-hexan-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 13038322
1-(thieno[2,3-d]pyrimidin-4-ylamino)pentan-2-ol
CID 115622916
(2S)-2-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]pentanoic acid
CID 107564302
4,4-dimethyl-3-(thieno[2,3-d]pyrimidin-4-ylamino)pentan-1-ol
CID 103746152
2-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine
CID 63732565
4-methyl-4-(thieno[2,3-d]pyrimidin-4-ylamino)pentanoic acid
CID 62044633
4-butoxy-N-thieno[2,3-d]pyrimidin-4-ylbenzamide
CID 7615356
2-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propanoic acid
CID 61265918
N-(4-methoxybutan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 62735152
2,2-diphenyl-N-thieno[2,3-d]pyrimidin-4-ylacetamide
CID 7615397

Frequently Asked Questions

What is the IUPAC name of 2-(thieno[2,3-d]pyrimidin-4-ylamino)pentanoic acid?
The IUPAC name of 2-(thieno[2,3-d]pyrimidin-4-ylamino)pentanoic acid (CID 43631382) is 2-(thieno[2,3-d]pyrimidin-4-ylamino)pentanoic acid.
What is the SMILES notation for 2-(thieno[2,3-d]pyrimidin-4-ylamino)pentanoic acid?
The canonical SMILES for 2-(thieno[2,3-d]pyrimidin-4-ylamino)pentanoic acid is CCCC(Nc1ncnc2sccc12)C(=O)O.
What is the InChIKey of 2-(thieno[2,3-d]pyrimidin-4-ylamino)pentanoic acid?
The InChIKey is KIETZYFJRSOIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-2-3-8(11(15)16)14-9-7-4-5-17-10(7)13-6-12-9/h4-6,8H,2-3H2,1H3,(H,15,16)(H,12,13,14).
What are the key properties of 2-(thieno[2,3-d]pyrimidin-4-ylamino)pentanoic acid?
2-(thieno[2,3-d]pyrimidin-4-ylamino)pentanoic acid has a molecular weight of 251.31 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thieno[2,3-d]pyrimidin-4-ylamino)pentanoic acid is sourced from PubChem (CID 43631382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).