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

C15H20N4OS — CID 39081648

IUPAC2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-piperidin-1-ylethanone
SMILESCc1sc2ncnc(NCC(=O)N3CCCCC3)c2c1C
InChIInChI=1S/C15H20N4OS/c1-10-11(2)21-15-13(10)14(17-9-18-15)16-8-12(20)19-6-4-3-5-7-19/h9H,3-8H2,1-2H3,(H,16,17,18)
InChIKeyODDYIKSWFMHRIE-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.73
Rot. Bonds3

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

2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-piperidin-1-ylethanone (PubChem CID 39081648) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-piperidin-1-ylethanone
PubChem CID39081648
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-piperidin-1-ylethanone
SMILESCc1sc2ncnc(NCC(=O)N3CCCCC3)c2c1C
InChIInChI=1S/C15H20N4OS/c1-10-11(2)21-15-13(10)14(17-9-18-15)16-8-12(20)19-6-4-3-5-7-19/h9H,3-8H2,1-2H3,(H,16,17,18)
InChIKeyODDYIKSWFMHRIE-UHFFFAOYSA-N
XLogP2.73
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-(azepan-1-yl)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone
CID 39081542
1-piperidin-1-yl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone
CID 39082060
1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone
CID 17457412
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 115574255
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperidin-1-ylethanone
CID 798359
(2R)-1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-one
CID 40797422
ethyl 4-[[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]piperidine-1-carboxylate
CID 39084915
2-[[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]pentanoic acid
CID 82033138
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 42919480
N-(2-aminoethyl)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39162325
3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propan-2-ylpropanamide
CID 115578504
3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 724915

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-piperidin-1-ylethanone (CID 39081648) is 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-piperidin-1-ylethanone is Cc1sc2ncnc(NCC(=O)N3CCCCC3)c2c1C.
What is the InChIKey of 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-piperidin-1-ylethanone?
The InChIKey is ODDYIKSWFMHRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-10-11(2)21-15-13(10)14(17-9-18-15)16-8-12(20)19-6-4-3-5-7-19/h9H,3-8H2,1-2H3,(H,16,17,18).
What are the key properties of 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-piperidin-1-ylethanone?
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-piperidin-1-ylethanone has a molecular weight of 304.42 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 39081648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).