2-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]ethanol

C16H16BrN3OS — CID 28847320

IUPAC2-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]ethanol
SMILESCc1sc2ncnc(N(C)CCO)c2c1-c1ccc(Br)cc1
InChIInChI=1S/C16H16BrN3OS/c1-10-13(11-3-5-12(17)6-4-11)14-15(20(2)7-8-21)18-9-19-16(14)22-10/h3-6,9,21H,7-8H2,1-2H3
InChIKeyVFSMVSPYQPJHMY-UHFFFAOYSA-N
MW378.30 g/mol
LogP3.86
Rot. Bonds4

About 2-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]ethanol

2-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]ethanol (PubChem CID 28847320) has the molecular formula C16H16BrN3OS and a molecular weight of 378.30 g/mol. Its IUPAC name is 2-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]ethanol
PubChem CID28847320
Molecular FormulaC16H16BrN3OS
Molecular Weight378.30 g/mol
Exact Mass377.02
IUPAC Name2-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]ethanol
SMILESCc1sc2ncnc(N(C)CCO)c2c1-c1ccc(Br)cc1
InChIInChI=1S/C16H16BrN3OS/c1-10-13(11-3-5-12(17)6-4-11)14-15(20(2)7-8-21)18-9-19-16(14)22-10/h3-6,9,21H,7-8H2,1-2H3
InChIKeyVFSMVSPYQPJHMY-UHFFFAOYSA-N
XLogP3.86
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]ethanol?
The IUPAC name of 2-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]ethanol (CID 28847320) is 2-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]ethanol.
What is the SMILES notation for 2-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]ethanol?
The canonical SMILES for 2-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]ethanol is Cc1sc2ncnc(N(C)CCO)c2c1-c1ccc(Br)cc1.
What is the InChIKey of 2-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]ethanol?
The InChIKey is VFSMVSPYQPJHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3OS/c1-10-13(11-3-5-12(17)6-4-11)14-15(20(2)7-8-21)18-9-19-16(14)22-10/h3-6,9,21H,7-8H2,1-2H3.
What are the key properties of 2-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]ethanol?
2-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]ethanol has a molecular weight of 378.30 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]ethanol is sourced from PubChem (CID 28847320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).