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

C19H22N4OS2 — CID 45246478

IUPAC[5-methyl-4-(1-thiophen-2-ylpropylamino)thieno[2,3-d]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone
SMILESCCC(Nc1ncnc2sc(C(=O)N3CCCC3)c(C)c12)c1cccs1
InChIInChI=1S/C19H22N4OS2/c1-3-13(14-7-6-10-25-14)22-17-15-12(2)16(26-18(15)21-11-20-17)19(24)23-8-4-5-9-23/h6-7,10-11,13H,3-5,8-9H2,1-2H3,(H,20,21,22)
InChIKeyBALYCVSOGGXCJP-UHFFFAOYSA-N
MW386.55 g/mol
LogP4.86
Rot. Bonds5

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

[5-methyl-4-(1-thiophen-2-ylpropylamino)thieno[2,3-d]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone (PubChem CID 45246478) has the molecular formula C19H22N4OS2 and a molecular weight of 386.55 g/mol. Its IUPAC name is [5-methyl-4-(1-thiophen-2-ylpropylamino)thieno[2,3-d]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-methyl-4-(1-thiophen-2-ylpropylamino)thieno[2,3-d]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone
PubChem CID45246478
Molecular FormulaC19H22N4OS2
Molecular Weight386.55 g/mol
Exact Mass386.12
IUPAC Name[5-methyl-4-(1-thiophen-2-ylpropylamino)thieno[2,3-d]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone
SMILESCCC(Nc1ncnc2sc(C(=O)N3CCCC3)c(C)c12)c1cccs1
InChIInChI=1S/C19H22N4OS2/c1-3-13(14-7-6-10-25-14)22-17-15-12(2)16(26-18(15)21-11-20-17)19(24)23-8-4-5-9-23/h6-7,10-11,13H,3-5,8-9H2,1-2H3,(H,20,21,22)
InChIKeyBALYCVSOGGXCJP-UHFFFAOYSA-N
XLogP4.86
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.55
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(hydroxymethyl)piperidin-1-yl]-[5-methyl-4-[[(1R)-1-thiophen-2-ylpropyl]amino]thieno[2,3-d]pyrimidin-6-yl]methanone
CID 42429170
[5-methyl-4-(1-thiophen-2-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 45236570
[4-(3-methoxypropylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone
CID 42397338
[4-(ethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 42346611
N-(2-acetamidoethyl)-5-methyl-4-[[(1R)-1-thiophen-2-ylethyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 26334572
[5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone
CID 28953252
(5-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-pyrrolidin-1-ylmethanone
CID 31043286
[4-(ethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-ethylpiperidin-1-yl)methanone
CID 118756583
azepan-1-yl-[4-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone
CID 26279444
azocan-1-yl-[4-[[(3R)-1,1-dioxothiolan-3-yl]methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone
CID 26398498
1-pyrrolidin-1-yl-2-(1-thiophen-2-ylpropylamino)ethanone
CID 54964322
5-methyl-N-(2-pyridin-4-ylethyl)-4-[[(1R)-1-thiophen-2-ylethyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 42247445

Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-(1-thiophen-2-ylpropylamino)thieno[2,3-d]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-methyl-4-(1-thiophen-2-ylpropylamino)thieno[2,3-d]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone (CID 45246478) is [5-methyl-4-(1-thiophen-2-ylpropylamino)thieno[2,3-d]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-methyl-4-(1-thiophen-2-ylpropylamino)thieno[2,3-d]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-methyl-4-(1-thiophen-2-ylpropylamino)thieno[2,3-d]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone is CCC(Nc1ncnc2sc(C(=O)N3CCCC3)c(C)c12)c1cccs1.
What is the InChIKey of [5-methyl-4-(1-thiophen-2-ylpropylamino)thieno[2,3-d]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is BALYCVSOGGXCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS2/c1-3-13(14-7-6-10-25-14)22-17-15-12(2)16(26-18(15)21-11-20-17)19(24)23-8-4-5-9-23/h6-7,10-11,13H,3-5,8-9H2,1-2H3,(H,20,21,22).
What are the key properties of [5-methyl-4-(1-thiophen-2-ylpropylamino)thieno[2,3-d]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone?
[5-methyl-4-(1-thiophen-2-ylpropylamino)thieno[2,3-d]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 386.55 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-(1-thiophen-2-ylpropylamino)thieno[2,3-d]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 45246478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).