2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-1-pyridin-3-ylethanol

C17H20N4OS — CID 138019825

IUPAC2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-1-pyridin-3-ylethanol
SMILESCCc1cc2c(N(C)CC(O)c3cccnc3)nc(C)nc2s1
InChIInChI=1S/C17H20N4OS/c1-4-13-8-14-16(19-11(2)20-17(14)23-13)21(3)10-15(22)12-6-5-7-18-9-12/h5-9,15,22H,4,10H2,1-3H3
InChIKeyGCERRQXZFWMCJU-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.13
Rot. Bonds5

About 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-1-pyridin-3-ylethanol

2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-1-pyridin-3-ylethanol (PubChem CID 138019825) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-1-pyridin-3-ylethanol.

Molecular Properties

Compound Name2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-1-pyridin-3-ylethanol
PubChem CID138019825
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-1-pyridin-3-ylethanol
SMILESCCc1cc2c(N(C)CC(O)c3cccnc3)nc(C)nc2s1
InChIInChI=1S/C17H20N4OS/c1-4-13-8-14-16(19-11(2)20-17(14)23-13)21(3)10-15(22)12-6-5-7-18-9-12/h5-9,15,22H,4,10H2,1-3H3
InChIKeyGCERRQXZFWMCJU-UHFFFAOYSA-N
XLogP3.13
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-1-pyridin-3-ylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-1-pyridin-3-ylethanol?
The IUPAC name of 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-1-pyridin-3-ylethanol (CID 138019825) is 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-1-pyridin-3-ylethanol.
What is the SMILES notation for 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-1-pyridin-3-ylethanol?
The canonical SMILES for 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-1-pyridin-3-ylethanol is CCc1cc2c(N(C)CC(O)c3cccnc3)nc(C)nc2s1.
What is the InChIKey of 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-1-pyridin-3-ylethanol?
The InChIKey is GCERRQXZFWMCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-4-13-8-14-16(19-11(2)20-17(14)23-13)21(3)10-15(22)12-6-5-7-18-9-12/h5-9,15,22H,4,10H2,1-3H3.
What are the key properties of 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-1-pyridin-3-ylethanol?
2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-1-pyridin-3-ylethanol has a molecular weight of 328.44 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-1-pyridin-3-ylethanol is sourced from PubChem (CID 138019825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).