1-piperidin-1-yl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone

C16H22N4OS — CID 39082060

IUPAC1-piperidin-1-yl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone
SMILESCc1nc(NCC(=O)N2CCCCC2)c2c(C)c(C)sc2n1
InChIInChI=1S/C16H22N4OS/c1-10-11(2)22-16-14(10)15(18-12(3)19-16)17-9-13(21)20-7-5-4-6-8-20/h4-9H2,1-3H3,(H,17,18,19)
InChIKeyUTIIQOSJUJBURB-UHFFFAOYSA-N
MW318.45 g/mol
LogP3.04
Rot. Bonds3

About 1-piperidin-1-yl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone

1-piperidin-1-yl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone (PubChem CID 39082060) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone
PubChem CID39082060
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name1-piperidin-1-yl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone
SMILESCc1nc(NCC(=O)N2CCCCC2)c2c(C)c(C)sc2n1
InChIInChI=1S/C16H22N4OS/c1-10-11(2)22-16-14(10)15(18-12(3)19-16)17-9-13(21)20-7-5-4-6-8-20/h4-9H2,1-3H3,(H,17,18,19)
InChIKeyUTIIQOSJUJBURB-UHFFFAOYSA-N
XLogP3.04
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-piperidin-1-yl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone with MolForge

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Related Compounds

2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-piperidin-1-ylethanone
CID 39081648
1-(azepan-1-yl)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone
CID 39081542
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone
CID 113406499
N-(3-methylbutyl)-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39085132
N,N-bis(prop-2-enyl)-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39082034
N-(2,6-dimethylphenyl)-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 9195720
4-[[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzoic acid
CID 28844051
(2S)-1-pyrrolidin-1-yl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropan-1-one
CID 7362694
2,5,6-trimethyl-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 23740566
3-[2-(azepan-1-yl)-2-oxoethyl]-5,6-dimethylthieno[2,3-d]triazin-4-one
CID 7453906
(2S)-3-methyl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
CID 7456431
N-[2-(4-fluorophenyl)ethyl]-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 9402936

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone?
The IUPAC name of 1-piperidin-1-yl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone (CID 39082060) is 1-piperidin-1-yl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone is Cc1nc(NCC(=O)N2CCCCC2)c2c(C)c(C)sc2n1.
What is the InChIKey of 1-piperidin-1-yl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone?
The InChIKey is UTIIQOSJUJBURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-10-11(2)22-16-14(10)15(18-12(3)19-16)17-9-13(21)20-7-5-4-6-8-20/h4-9H2,1-3H3,(H,17,18,19).
What are the key properties of 1-piperidin-1-yl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone?
1-piperidin-1-yl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone has a molecular weight of 318.45 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone is sourced from PubChem (CID 39082060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).