(2R)-1-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid

C13H15N3O2S — CID 122051751

IUPAC(2R)-1-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESCc1nc(N2CCC[C@@H]2C(=O)O)c2c(C)csc2n1
InChIInChI=1S/C13H15N3O2S/c1-7-6-19-12-10(7)11(14-8(2)15-12)16-5-3-4-9(16)13(17)18/h6,9H,3-5H2,1-2H3,(H,17,18)/t9-/m1/s1
InChIKeyCMFNXNPPDQQXBP-SECBINFHSA-N
MW277.35 g/mol
LogP2.36
Rot. Bonds2

About (2R)-1-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid

(2R)-1-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid (PubChem CID 122051751) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is (2R)-1-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
PubChem CID122051751
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name(2R)-1-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESCc1nc(N2CCC[C@@H]2C(=O)O)c2c(C)csc2n1
InChIInChI=1S/C13H15N3O2S/c1-7-6-19-12-10(7)11(14-8(2)15-12)16-5-3-4-9(16)13(17)18/h6,9H,3-5H2,1-2H3,(H,17,18)/t9-/m1/s1
InChIKeyCMFNXNPPDQQXBP-SECBINFHSA-N
XLogP2.36
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-methoxycarbonyl-2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 122058931
methyl (3R)-1-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate
CID 133484605
(2S)-1-(2-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 122562447
1-(2,7-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 122058943
ethyl (3S)-1-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate
CID 133492847
(2S)-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 122059752
1-(2-methylpyrimidin-5-yl)pyrrolidine-2-carboxylic acid
CID 112709125
4-(6-azaspiro[3.4]octan-6-yl)-2,5-dimethylthieno[2,3-d]pyrimidine
CID 133491295
4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]morpholine-3-carboxamide
CID 75499749
(2S)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586857
(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586856
1-(4-chloro-1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid
CID 83152836

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid (CID 122051751) is (2R)-1-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid is Cc1nc(N2CCC[C@@H]2C(=O)O)c2c(C)csc2n1.
What is the InChIKey of (2R)-1-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is CMFNXNPPDQQXBP-SECBINFHSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-7-6-19-12-10(7)11(14-8(2)15-12)16-5-3-4-9(16)13(17)18/h6,9H,3-5H2,1-2H3,(H,17,18)/t9-/m1/s1.
What are the key properties of (2R)-1-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
(2R)-1-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 277.35 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122051751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).