4-cyclopropyl-N-[[(2S)-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]butanamide

C19H26N4OS — CID 166340213

IUPAC4-cyclopropyl-N-[[(2S)-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]butanamide
SMILESCc1nc(N2CCC[C@H]2CNC(=O)CCCC2CC2)c2ccsc2n1
InChIInChI=1S/C19H26N4OS/c1-13-21-18(16-9-11-25-19(16)22-13)23-10-3-5-15(23)12-20-17(24)6-2-4-14-7-8-14/h9,11,14-15H,2-8,10,12H2,1H3,(H,20,24)/t15-/m0/s1
InChIKeyJBOBVVIUABNDJN-HNNXBMFYSA-N
MW358.51 g/mol
LogP3.67
Rot. Bonds7

About 4-cyclopropyl-N-[[(2S)-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]butanamide

4-cyclopropyl-N-[[(2S)-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]butanamide (PubChem CID 166340213) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is 4-cyclopropyl-N-[[(2S)-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]butanamide.

Molecular Properties

Compound Name4-cyclopropyl-N-[[(2S)-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]butanamide
PubChem CID166340213
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name4-cyclopropyl-N-[[(2S)-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]butanamide
SMILESCc1nc(N2CCC[C@H]2CNC(=O)CCCC2CC2)c2ccsc2n1
InChIInChI=1S/C19H26N4OS/c1-13-21-18(16-9-11-25-19(16)22-13)23-10-3-5-15(23)12-20-17(24)6-2-4-14-7-8-14/h9,11,14-15H,2-8,10,12H2,1H3,(H,20,24)/t15-/m0/s1
InChIKeyJBOBVVIUABNDJN-HNNXBMFYSA-N
XLogP3.67
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methyl]benzamide
CID 133403725
methyl 2-[1-(2-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetate
CID 72839733
1-(2-methylthieno[2,3-d]pyrimidin-4-yl)azepan-4-amine
CID 56897575
1-methyl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methyl]pyrazole-4-carboxamide
CID 138030030
[1-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 103325526
4-(azepan-1-yl)-2-methylthieno[2,3-d]pyrimidine
CID 2238996
[1-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol
CID 103325517
N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide
CID 90619300
2-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-phenylethanol
CID 133403636
4-[2-(3-chloropropyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 63390203
N-(2-amino-2-methylpropyl)-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
CID 119630002
3-(4-fluoro-3-methylphenyl)-N-[[(2R)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide
CID 99874628

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[[(2S)-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]butanamide?
The IUPAC name of 4-cyclopropyl-N-[[(2S)-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]butanamide (CID 166340213) is 4-cyclopropyl-N-[[(2S)-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]butanamide.
What is the SMILES notation for 4-cyclopropyl-N-[[(2S)-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]butanamide?
The canonical SMILES for 4-cyclopropyl-N-[[(2S)-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]butanamide is Cc1nc(N2CCC[C@H]2CNC(=O)CCCC2CC2)c2ccsc2n1.
What is the InChIKey of 4-cyclopropyl-N-[[(2S)-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]butanamide?
The InChIKey is JBOBVVIUABNDJN-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-13-21-18(16-9-11-25-19(16)22-13)23-10-3-5-15(23)12-20-17(24)6-2-4-14-7-8-14/h9,11,14-15H,2-8,10,12H2,1H3,(H,20,24)/t15-/m0/s1.
What are the key properties of 4-cyclopropyl-N-[[(2S)-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]butanamide?
4-cyclopropyl-N-[[(2S)-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]butanamide has a molecular weight of 358.51 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[[(2S)-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]butanamide is sourced from PubChem (CID 166340213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).