4-(4-bromo-2-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine

C15H14BrN3OS — CID 103332531

IUPAC4-(4-bromo-2-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine
SMILESCCc1cc2c(Oc3ccc(Br)cc3C)nc(N)nc2s1
InChIInChI=1S/C15H14BrN3OS/c1-3-10-7-11-13(18-15(17)19-14(11)21-10)20-12-5-4-9(16)6-8(12)2/h4-7H,3H2,1-2H3,(H2,17,18,19)
InChIKeySIRSCQXVJYXIOY-UHFFFAOYSA-N
MW364.27 g/mol
LogP4.70
Rot. Bonds3

About 4-(4-bromo-2-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine

4-(4-bromo-2-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103332531) has the molecular formula C15H14BrN3OS and a molecular weight of 364.27 g/mol. Its IUPAC name is 4-(4-bromo-2-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-bromo-2-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103332531
Molecular FormulaC15H14BrN3OS
Molecular Weight364.27 g/mol
Exact Mass363.00
IUPAC Name4-(4-bromo-2-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine
SMILESCCc1cc2c(Oc3ccc(Br)cc3C)nc(N)nc2s1
InChIInChI=1S/C15H14BrN3OS/c1-3-10-7-11-13(18-15(17)19-14(11)21-10)20-12-5-4-9(16)6-8(12)2/h4-7H,3H2,1-2H3,(H2,17,18,19)
InChIKeySIRSCQXVJYXIOY-UHFFFAOYSA-N
XLogP4.70
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.27
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-bromo-2-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332537
4-(5-chloro-2-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103332918
4-(2-chloro-4-fluorophenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103331676
6-ethyl-4-(2-methoxyphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331898
6-ethyl-4-(3-fluoro-4-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 107171824
6-ethyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidin-2-amine
CID 103331942
4-(4-bromo-2-fluorophenoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine
CID 103319978
6-ethyl-4-(3-methoxyphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331770
6-ethyl-4-(3-ethylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331559
4-(5-bromo-2-chlorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332585
2-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)oxyethanol
CID 103331574
2-chloro-6-ethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidine
CID 103319922

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(4-bromo-2-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine (CID 103332531) is 4-(4-bromo-2-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(4-bromo-2-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(4-bromo-2-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine is CCc1cc2c(Oc3ccc(Br)cc3C)nc(N)nc2s1.
What is the InChIKey of 4-(4-bromo-2-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is SIRSCQXVJYXIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3OS/c1-3-10-7-11-13(18-15(17)19-14(11)21-10)20-12-5-4-9(16)6-8(12)2/h4-7H,3H2,1-2H3,(H2,17,18,19).
What are the key properties of 4-(4-bromo-2-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine?
4-(4-bromo-2-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 364.27 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103332531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).