1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid

C13H15N3O2S — CID 55249156

IUPAC1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
SMILESCc1cc2c(NC3(C(=O)O)CCCC3)ncnc2s1
InChIInChI=1S/C13H15N3O2S/c1-8-6-9-10(14-7-15-11(9)19-8)16-13(12(17)18)4-2-3-5-13/h6-7H,2-5H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyBNTHDGYIZCHRQI-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.81
Rot. Bonds3

About 1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid

1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid (PubChem CID 55249156) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
PubChem CID55249156
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
SMILESCc1cc2c(NC3(C(=O)O)CCCC3)ncnc2s1
InChIInChI=1S/C13H15N3O2S/c1-8-6-9-10(14-7-15-11(9)19-8)16-13(12(17)18)4-2-3-5-13/h6-7H,2-5H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyBNTHDGYIZCHRQI-UHFFFAOYSA-N
XLogP2.81
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 63617216
2-[1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentyl]acetic acid
CID 64700972
1-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115433384
1-[[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopropane-1-carboxylic acid
CID 90185750
2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propan-2-ylacetamide
CID 39084793
3,3,3-trifluoro-2-methyl-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 79798801
2-methyl-2-[[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]propanoic acid
CID 39175337
5-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid
CID 81088363
N-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzamide
CID 133408754
1-[(5-fluoro-2-methylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 143149941
N-(2-aminoethyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39161916
2-methyl-4-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid
CID 63617886

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid (CID 55249156) is 1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid is Cc1cc2c(NC3(C(=O)O)CCCC3)ncnc2s1.
What is the InChIKey of 1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is BNTHDGYIZCHRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-8-6-9-10(14-7-15-11(9)19-8)16-13(12(17)18)4-2-3-5-13/h6-7H,2-5H2,1H3,(H,17,18)(H,14,15,16).
What are the key properties of 1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 277.35 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 55249156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).