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

C12H14N4OS — CID 94207481

IUPAC(2S)-N-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1CCCN1c1ncnc2sccc12
InChIInChI=1S/C12H14N4OS/c1-13-11(17)9-3-2-5-16(9)10-8-4-6-18-12(8)15-7-14-10/h4,6-7,9H,2-3,5H2,1H3,(H,13,17)/t9-/m0/s1
InChIKeyOXTNWBBQQJIGHM-VIFPVBQESA-N
MW262.34 g/mol
LogP1.41
Rot. Bonds2

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

(2S)-N-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide (PubChem CID 94207481) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is (2S)-N-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
PubChem CID94207481
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name(2S)-N-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1CCCN1c1ncnc2sccc12
InChIInChI=1S/C12H14N4OS/c1-13-11(17)9-3-2-5-16(9)10-8-4-6-18-12(8)15-7-14-10/h4,6-7,9H,2-3,5H2,1H3,(H,13,17)/t9-/m0/s1
InChIKeyOXTNWBBQQJIGHM-VIFPVBQESA-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

N-(2-amino-2-methylpropyl)-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
CID 119630002
N-(3-hydroxybutyl)-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
CID 111429149
3-[(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 119220790
3-[(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 119176994
1-thieno[2,3-d]pyrimidin-4-ylpiperidine-2-carboxylic acid
CID 43140039
N-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
CID 47282456
(2R)-N,N-diethyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
CID 95140151
(2S)-N-(4-cyanophenyl)-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
CID 95305384
(4-aminopiperidin-1-yl)-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone
CID 119376355
piperazin-1-yl-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone
CID 119403348
(2R)-N'-(4-fluoro-2-methoxyphenyl)-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carbohydrazide
CID 124890507
5-[[(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carbonyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110710

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide (CID 94207481) is (2S)-N-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide is CNC(=O)[C@@H]1CCCN1c1ncnc2sccc12.
What is the InChIKey of (2S)-N-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide?
The InChIKey is OXTNWBBQQJIGHM-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14N4OS/c1-13-11(17)9-3-2-5-16(9)10-8-4-6-18-12(8)15-7-14-10/h4,6-7,9H,2-3,5H2,1H3,(H,13,17)/t9-/m0/s1.
What are the key properties of (2S)-N-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide?
(2S)-N-methyl-1-thieno[2,3-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 (2S)-N-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 94207481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).