2-[methyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol

C12H17N3OS — CID 28847412

IUPAC2-[methyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESCc1nc(N(C)CCO)c2c(C)c(C)sc2n1
InChIInChI=1S/C12H17N3OS/c1-7-8(2)17-12-10(7)11(13-9(3)14-12)15(4)5-6-16/h16H,5-6H2,1-4H3
InChIKeyAXRMNZORUCVWAB-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.05
Rot. Bonds3

About 2-[methyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol

2-[methyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol (PubChem CID 28847412) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-[methyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[methyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
PubChem CID28847412
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name2-[methyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESCc1nc(N(C)CCO)c2c(C)c(C)sc2n1
InChIInChI=1S/C12H17N3OS/c1-7-8(2)17-12-10(7)11(13-9(3)14-12)15(4)5-6-16/h16H,5-6H2,1-4H3
InChIKeyAXRMNZORUCVWAB-UHFFFAOYSA-N
XLogP2.05
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[methyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol (CID 28847412) is 2-[methyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[methyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[methyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol is Cc1nc(N(C)CCO)c2c(C)c(C)sc2n1.
What is the InChIKey of 2-[methyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The InChIKey is AXRMNZORUCVWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-7-8(2)17-12-10(7)11(13-9(3)14-12)15(4)5-6-16/h16H,5-6H2,1-4H3.
What are the key properties of 2-[methyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
2-[methyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol has a molecular weight of 251.35 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 28847412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).