(1R)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-1-pyridin-3-ylethanol

C16H18N4OS — CID 164636686

IUPAC(1R)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-1-pyridin-3-ylethanol
SMILESCCc1nc(N(C)C[C@H](O)c2cccnc2)c2ccsc2n1
InChIInChI=1S/C16H18N4OS/c1-3-14-18-15(12-6-8-22-16(12)19-14)20(2)10-13(21)11-5-4-7-17-9-11/h4-9,13,21H,3,10H2,1-2H3/t13-/m0/s1
InChIKeyBMRABEUDLMHBKX-ZDUSSCGKSA-N
MW314.41 g/mol
LogP2.82
Rot. Bonds5

About (1R)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-1-pyridin-3-ylethanol

(1R)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-1-pyridin-3-ylethanol (PubChem CID 164636686) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is (1R)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-1-pyridin-3-ylethanol.

Molecular Properties

Compound Name(1R)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-1-pyridin-3-ylethanol
PubChem CID164636686
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC Name(1R)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-1-pyridin-3-ylethanol
SMILESCCc1nc(N(C)C[C@H](O)c2cccnc2)c2ccsc2n1
InChIInChI=1S/C16H18N4OS/c1-3-14-18-15(12-6-8-22-16(12)19-14)20(2)10-13(21)11-5-4-7-17-9-11/h4-9,13,21H,3,10H2,1-2H3/t13-/m0/s1
InChIKeyBMRABEUDLMHBKX-ZDUSSCGKSA-N
XLogP2.82
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1R)-2-[(2-ethylthieno[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 (1R)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-1-pyridin-3-ylethanol?
The IUPAC name of (1R)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-1-pyridin-3-ylethanol (CID 164636686) is (1R)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-1-pyridin-3-ylethanol.
What is the SMILES notation for (1R)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-1-pyridin-3-ylethanol?
The canonical SMILES for (1R)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-1-pyridin-3-ylethanol is CCc1nc(N(C)C[C@H](O)c2cccnc2)c2ccsc2n1.
What is the InChIKey of (1R)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-1-pyridin-3-ylethanol?
The InChIKey is BMRABEUDLMHBKX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18N4OS/c1-3-14-18-15(12-6-8-22-16(12)19-14)20(2)10-13(21)11-5-4-7-17-9-11/h4-9,13,21H,3,10H2,1-2H3/t13-/m0/s1.
What are the key properties of (1R)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-1-pyridin-3-ylethanol?
(1R)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-1-pyridin-3-ylethanol has a molecular weight of 314.41 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-1-pyridin-3-ylethanol is sourced from PubChem (CID 164636686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).