[2-[[(1R)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone

C18H19N5OS — CID 25230180

IUPAC[2-[[(1R)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESC[C@@H](Nc1nc(C(=O)N2CCCC2)c2sccc2n1)c1cccnc1
InChIInChI=1S/C18H19N5OS/c1-12(13-5-4-7-19-11-13)20-18-21-14-6-10-25-16(14)15(22-18)17(24)23-8-2-3-9-23/h4-7,10-12H,2-3,8-9H2,1H3,(H,20,21,22)/t12-/m1/s1
InChIKeyYSTPWPWIXDYZLT-GFCCVEGCSA-N
MW353.45 g/mol
LogP3.50
Rot. Bonds4

About [2-[[(1R)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone

[2-[[(1R)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 25230180) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is [2-[[(1R)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[[(1R)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID25230180
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC Name[2-[[(1R)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESC[C@@H](Nc1nc(C(=O)N2CCCC2)c2sccc2n1)c1cccnc1
InChIInChI=1S/C18H19N5OS/c1-12(13-5-4-7-19-11-13)20-18-21-14-6-10-25-16(14)15(22-18)17(24)23-8-2-3-9-23/h4-7,10-12H,2-3,8-9H2,1H3,(H,20,21,22)/t12-/m1/s1
InChIKeyYSTPWPWIXDYZLT-GFCCVEGCSA-N
XLogP3.50
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl)thiophene-2-carboxamide
CID 7080336
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(pyrazin-2-yl)thiophene-2-carboxamide
CID 25190535
N-{2-[1-(6-Carbamoylthieno[3,2-D]pyrimidin-4-Yl)piperidin-4-Yl]ethyl}-N'-Ethylthiophene-2,5-Dicarboxamide
CID 71304813
4-(4-{2-[(2,2-Dimethylpropanoyl)amino]ethyl}piperidin-1-Yl)thieno[3,2-D]pyrimidine-6-Carboxamide
CID 71304814
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-(thieno[3,2-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide
CID 72195318
US10100058, Example 108
CID 134539513
US10100058, Example 4
CID 134539764
US10100058, Example 229
CID 134539886
US10100058, Example 105
CID 134540034
US10100058, Example 225
CID 134540086
US10100058, Example 228
CID 134540119
2-Aminobenzimidazole with trans-stilbene, 8g
CID 25190549

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[[(1R)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone (CID 25230180) is [2-[[(1R)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[[(1R)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[[(1R)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone is C[C@@H](Nc1nc(C(=O)N2CCCC2)c2sccc2n1)c1cccnc1.
What is the InChIKey of [2-[[(1R)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is YSTPWPWIXDYZLT-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-12(13-5-4-7-19-11-13)20-18-21-14-6-10-25-16(14)15(22-18)17(24)23-8-2-3-9-23/h4-7,10-12H,2-3,8-9H2,1H3,(H,20,21,22)/t12-/m1/s1.
What are the key properties of [2-[[(1R)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
[2-[[(1R)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 353.45 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 25230180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).