2-[methyl(thieno[3,2-d]pyrimidin-4-yl)amino]-1-piperazin-1-ylethanone

C13H17N5OS — CID 61017410

IUPAC2-[methyl(thieno[3,2-d]pyrimidin-4-yl)amino]-1-piperazin-1-ylethanone
SMILESCN(CC(=O)N1CCNCC1)c1ncnc2ccsc12
InChIInChI=1S/C13H17N5OS/c1-17(8-11(19)18-5-3-14-4-6-18)13-12-10(2-7-20-12)15-9-16-13/h2,7,9,14H,3-6,8H2,1H3
InChIKeyUKQVHYJGBFYBIY-UHFFFAOYSA-N
MW291.38 g/mol
LogP0.56
Rot. Bonds3

About 2-[methyl(thieno[3,2-d]pyrimidin-4-yl)amino]-1-piperazin-1-ylethanone

2-[methyl(thieno[3,2-d]pyrimidin-4-yl)amino]-1-piperazin-1-ylethanone (PubChem CID 61017410) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-[methyl(thieno[3,2-d]pyrimidin-4-yl)amino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[methyl(thieno[3,2-d]pyrimidin-4-yl)amino]-1-piperazin-1-ylethanone
PubChem CID61017410
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name2-[methyl(thieno[3,2-d]pyrimidin-4-yl)amino]-1-piperazin-1-ylethanone
SMILESCN(CC(=O)N1CCNCC1)c1ncnc2ccsc12
InChIInChI=1S/C13H17N5OS/c1-17(8-11(19)18-5-3-14-4-6-18)13-12-10(2-7-20-12)15-9-16-13/h2,7,9,14H,3-6,8H2,1H3
InChIKeyUKQVHYJGBFYBIY-UHFFFAOYSA-N
XLogP0.56
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thieno[3,2-d]pyrimidin-4-yl)amino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[methyl(thieno[3,2-d]pyrimidin-4-yl)amino]-1-piperazin-1-ylethanone (CID 61017410) is 2-[methyl(thieno[3,2-d]pyrimidin-4-yl)amino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[methyl(thieno[3,2-d]pyrimidin-4-yl)amino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[methyl(thieno[3,2-d]pyrimidin-4-yl)amino]-1-piperazin-1-ylethanone is CN(CC(=O)N1CCNCC1)c1ncnc2ccsc12.
What is the InChIKey of 2-[methyl(thieno[3,2-d]pyrimidin-4-yl)amino]-1-piperazin-1-ylethanone?
The InChIKey is UKQVHYJGBFYBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-17(8-11(19)18-5-3-14-4-6-18)13-12-10(2-7-20-12)15-9-16-13/h2,7,9,14H,3-6,8H2,1H3.
What are the key properties of 2-[methyl(thieno[3,2-d]pyrimidin-4-yl)amino]-1-piperazin-1-ylethanone?
2-[methyl(thieno[3,2-d]pyrimidin-4-yl)amino]-1-piperazin-1-ylethanone has a molecular weight of 291.38 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(thieno[3,2-d]pyrimidin-4-yl)amino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 61017410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).