[5-methyl-4-(2-pyridin-2-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone

C19H21N5OS — CID 42420189

IUPAC[5-methyl-4-(2-pyridin-2-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone
SMILESCc1c(C(=O)N2CCCC2)sc2ncnc(NCCc3ccccn3)c12
InChIInChI=1S/C19H21N5OS/c1-13-15-17(21-9-7-14-6-2-3-8-20-14)22-12-23-18(15)26-16(13)19(25)24-10-4-5-11-24/h2-3,6,8,12H,4-5,7,9-11H2,1H3,(H,21,22,23)
InChIKeyRNNUFVWNKSSQID-UHFFFAOYSA-N
MW367.48 g/mol
LogP3.29
Rot. Bonds5

About [5-methyl-4-(2-pyridin-2-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone

[5-methyl-4-(2-pyridin-2-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone (PubChem CID 42420189) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is [5-methyl-4-(2-pyridin-2-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-methyl-4-(2-pyridin-2-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone
PubChem CID42420189
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name[5-methyl-4-(2-pyridin-2-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone
SMILESCc1c(C(=O)N2CCCC2)sc2ncnc(NCCc3ccccn3)c12
InChIInChI=1S/C19H21N5OS/c1-13-15-17(21-9-7-14-6-2-3-8-20-14)22-12-23-18(15)26-16(13)19(25)24-10-4-5-11-24/h2-3,6,8,12H,4-5,7,9-11H2,1H3,(H,21,22,23)
InChIKeyRNNUFVWNKSSQID-UHFFFAOYSA-N
XLogP3.29
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-(4-(Benzo(b)thiophen-2-yl)pyrimidin-2-ylamino)phenyl)(4-(pyrrolidin-1-yl)piperidin-1-yl)methanone
CID 9549298
US11685744, Example 56
CID 164709790
N-{2-[1-(6-Carbamoylthieno[3,2-D]pyrimidin-4-Yl)piperidin-4-Yl]ethyl}-N'-Ethylthiophene-2,5-Dicarboxamide
CID 71304813
US10100058, Example 108
CID 134539513
US10100058, Example 4
CID 134539764
US10100058, Example 105
CID 134540034
US10100058, Example 228
CID 134540119
N-Methyl-2-{[5-phenyl-2-(pyridin-2-YL)thieno[2,3-D]pyrimidin-4-YL]amino}acetamide
CID 17404784
2,5-dimethyl-4-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 4137406
6-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-N,5-dimethyl-N-phenylthieno[2,3-d]pyrimidin-4-amine
CID 3244926
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 4162441
2,5-dimethyl-4-piperidin-1-yl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 4557525

Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-(2-pyridin-2-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-methyl-4-(2-pyridin-2-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone (CID 42420189) is [5-methyl-4-(2-pyridin-2-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-methyl-4-(2-pyridin-2-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-methyl-4-(2-pyridin-2-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone is Cc1c(C(=O)N2CCCC2)sc2ncnc(NCCc3ccccn3)c12.
What is the InChIKey of [5-methyl-4-(2-pyridin-2-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is RNNUFVWNKSSQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-13-15-17(21-9-7-14-6-2-3-8-20-14)22-12-23-18(15)26-16(13)19(25)24-10-4-5-11-24/h2-3,6,8,12H,4-5,7,9-11H2,1H3,(H,21,22,23).
What are the key properties of [5-methyl-4-(2-pyridin-2-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone?
[5-methyl-4-(2-pyridin-2-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 367.48 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-(2-pyridin-2-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 42420189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).