4-(5-bromo-2-methylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine

C15H14BrN3OS — CID 107287415

IUPAC4-(5-bromo-2-methylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(Oc2cc(Br)ccc2C)c2ccsc2n1
InChIInChI=1S/C15H14BrN3OS/c1-3-17-15-18-13(11-6-7-21-14(11)19-15)20-12-8-10(16)5-4-9(12)2/h4-8H,3H2,1-2H3,(H,17,18,19)
InChIKeyOLOOERIBINJZAN-UHFFFAOYSA-N
MW364.27 g/mol
LogP4.99
Rot. Bonds4

About 4-(5-bromo-2-methylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine

4-(5-bromo-2-methylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 107287415) has the molecular formula C15H14BrN3OS and a molecular weight of 364.27 g/mol. Its IUPAC name is 4-(5-bromo-2-methylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-bromo-2-methylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine
PubChem CID107287415
Molecular FormulaC15H14BrN3OS
Molecular Weight364.27 g/mol
Exact Mass363.00
IUPAC Name4-(5-bromo-2-methylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(Oc2cc(Br)ccc2C)c2ccsc2n1
InChIInChI=1S/C15H14BrN3OS/c1-3-17-15-18-13(11-6-7-21-14(11)19-15)20-12-8-10(16)5-4-9(12)2/h4-8H,3H2,1-2H3,(H,17,18,19)
InChIKeyOLOOERIBINJZAN-UHFFFAOYSA-N
XLogP4.99
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.27
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,5-dimethylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103331816
N-ethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331842
4-(3-bromo-4-fluorophenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103333352
N-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-amine
CID 103333102
4-N-(5-bromo-2-methylphenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325268
4-(2-methylphenoxy)-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103331849
N-ethyl-4-(2-ethylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332005
4-(3,5-difluorophenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103332454
N-ethyl-4-(3-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331903
4-(5-bromo-2-methylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 107287620
N-ethyl-4-(1-methylpyrazol-4-yl)oxythieno[2,3-d]pyrimidin-2-amine
CID 103333500
N-ethyl-4-pentoxythieno[2,3-d]pyrimidin-2-amine
CID 103331646

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-methylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(5-bromo-2-methylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine (CID 107287415) is 4-(5-bromo-2-methylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(5-bromo-2-methylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(5-bromo-2-methylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine is CCNc1nc(Oc2cc(Br)ccc2C)c2ccsc2n1.
What is the InChIKey of 4-(5-bromo-2-methylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is OLOOERIBINJZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3OS/c1-3-17-15-18-13(11-6-7-21-14(11)19-15)20-12-8-10(16)5-4-9(12)2/h4-8H,3H2,1-2H3,(H,17,18,19).
What are the key properties of 4-(5-bromo-2-methylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine?
4-(5-bromo-2-methylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 364.27 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-methylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 107287415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).