N-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidine-2-carboxamide

C12H14N4OS — CID 47282456

IUPACN-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1c1ncnc2ccsc12
InChIInChI=1S/C12H14N4OS/c1-13-12(17)9-3-2-5-16(9)11-10-8(4-6-18-10)14-7-15-11/h4,6-7,9H,2-3,5H2,1H3,(H,13,17)
InChIKeyXLOYZJKMSQROFO-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.41
Rot. Bonds2

About N-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidine-2-carboxamide

N-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidine-2-carboxamide (PubChem CID 47282456) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is N-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
PubChem CID47282456
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC NameN-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1c1ncnc2ccsc12
InChIInChI=1S/C12H14N4OS/c1-13-12(17)9-3-2-5-16(9)11-10-8(4-6-18-10)14-7-15-11/h4,6-7,9H,2-3,5H2,1H3,(H,13,17)
InChIKeyXLOYZJKMSQROFO-UHFFFAOYSA-N
XLogP1.41
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-thieno[3,2-d]pyrimidin-4-ylpyrrolidine-2-carboxylate
CID 62006440
(2S)-N-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
CID 94207481
1-[(2R)-2-[(2R)-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95315326
N-methyl-1-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-2-yl)methanamine
CID 62585668
(2S)-1-(2-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 122562447
1-[6-(ethylamino)-5-propylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 80785994
1-(6-amino-5-nitropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 80806765
N-methyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 47130003
1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 80785472
N-(3-hydroxybutyl)-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
CID 111429149
N-(2-amino-2-methylpropyl)-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
CID 119630002
1-(6-hydrazinyl-5-nitropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 80905129

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidine-2-carboxamide?
The IUPAC name of N-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidine-2-carboxamide (CID 47282456) is N-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidine-2-carboxamide?
The canonical SMILES for N-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1c1ncnc2ccsc12.
What is the InChIKey of N-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidine-2-carboxamide?
The InChIKey is XLOYZJKMSQROFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-13-12(17)9-3-2-5-16(9)11-10-8(4-6-18-10)14-7-15-11/h4,6-7,9H,2-3,5H2,1H3,(H,13,17).
What are the key properties of N-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidine-2-carboxamide?
N-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidine-2-carboxamide has a molecular weight of 262.34 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 47282456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).