(2S)-1-(2-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid

C12H13N3O2S — CID 122562447

IUPAC(2S)-1-(2-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESCc1nc(N2CCC[C@H]2C(=O)O)c2sccc2n1
InChIInChI=1S/C12H13N3O2S/c1-7-13-8-4-6-18-10(8)11(14-7)15-5-2-3-9(15)12(16)17/h4,6,9H,2-3,5H2,1H3,(H,16,17)/t9-/m0/s1
InChIKeyOLTLKAIAOVLWNB-VIFPVBQESA-N
MW263.32 g/mol
LogP2.05
Rot. Bonds2

About (2S)-1-(2-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid

(2S)-1-(2-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid (PubChem CID 122562447) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is (2S)-1-(2-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
PubChem CID122562447
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name(2S)-1-(2-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESCc1nc(N2CCC[C@H]2C(=O)O)c2sccc2n1
InChIInChI=1S/C12H13N3O2S/c1-7-13-8-4-6-18-10(8)11(14-7)15-5-2-3-9(15)12(16)17/h4,6,9H,2-3,5H2,1H3,(H,16,17)/t9-/m0/s1
InChIKeyOLTLKAIAOVLWNB-VIFPVBQESA-N
XLogP2.05
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 122051751
(2S)-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 122059752
CID 161026737
CID 161026737
methyl 1-thieno[3,2-d]pyrimidin-4-ylpyrrolidine-2-carboxylate
CID 62006440
N-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
CID 47282456
2-methyl-4-[(3R)-3-(methylsulfanylmethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine
CID 97141123
(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586856
(2S)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586857
2-methyl-4-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]thieno[3,2-d]pyrimidine
CID 97124550
(2S)-1-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120964948
(2R)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidine-2-carboxylic acid
CID 122051780
[1-[2-(methylamino)thieno[3,2-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 112750454

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid (CID 122562447) is (2S)-1-(2-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid is Cc1nc(N2CCC[C@H]2C(=O)O)c2sccc2n1.
What is the InChIKey of (2S)-1-(2-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is OLTLKAIAOVLWNB-VIFPVBQESA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-7-13-8-4-6-18-10(8)11(14-7)15-5-2-3-9(15)12(16)17/h4,6,9H,2-3,5H2,1H3,(H,16,17)/t9-/m0/s1.
What are the key properties of (2S)-1-(2-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
(2S)-1-(2-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 263.32 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122562447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).