5-bromo-N-[2-(6-methoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine

C14H13BrN4OS — CID 69377700

IUPAC5-bromo-N-[2-(6-methoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CCNc2ncnc3scc(Br)c23)cn1
InChIInChI=1S/C14H13BrN4OS/c1-20-11-3-2-9(6-17-11)4-5-16-13-12-10(15)7-21-14(12)19-8-18-13/h2-3,6-8H,4-5H2,1H3,(H,16,18,19)
InChIKeyXUCAYUXOYLWETK-UHFFFAOYSA-N
MW365.26 g/mol
LogP3.51
Rot. Bonds5

About 5-bromo-N-[2-(6-methoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine

5-bromo-N-[2-(6-methoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 69377700) has the molecular formula C14H13BrN4OS and a molecular weight of 365.26 g/mol. Its IUPAC name is 5-bromo-N-[2-(6-methoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(6-methoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID69377700
Molecular FormulaC14H13BrN4OS
Molecular Weight365.26 g/mol
Exact Mass364.00
IUPAC Name5-bromo-N-[2-(6-methoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CCNc2ncnc3scc(Br)c23)cn1
InChIInChI=1S/C14H13BrN4OS/c1-20-11-3-2-9(6-17-11)4-5-16-13-12-10(15)7-21-14(12)19-8-18-13/h2-3,6-8H,4-5H2,1H3,(H,16,18,19)
InChIKeyXUCAYUXOYLWETK-UHFFFAOYSA-N
XLogP3.51
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 23631985
4-[[(5-bromothieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzenesulfonamide
CID 156539093
5-(4-methylphenyl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 705842
5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
CID 64622866
4-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 2424566
5-(4-methoxyphenyl)-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 46347943
N-(2-methoxyethyl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2116537
5-fluoro-N-[1-(6-methoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 58629082
N-[2-(4-methoxy-3-methylphenyl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 58338058
4-N-[(6-methoxy-3-pyridinyl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80831148
2,4,6-tribromo-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936392
N-[(3-chloro-4-methoxyphenyl)methyl]-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 141056385

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(6-methoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-[2-(6-methoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 69377700) is 5-bromo-N-[2-(6-methoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-[2-(6-methoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-[2-(6-methoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine is COc1ccc(CCNc2ncnc3scc(Br)c23)cn1.
What is the InChIKey of 5-bromo-N-[2-(6-methoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is XUCAYUXOYLWETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4OS/c1-20-11-3-2-9(6-17-11)4-5-16-13-12-10(15)7-21-14(12)19-8-18-13/h2-3,6-8H,4-5H2,1H3,(H,16,18,19).
What are the key properties of 5-bromo-N-[2-(6-methoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
5-bromo-N-[2-(6-methoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 365.26 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(6-methoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 69377700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).