5-chloro-N-[1-(6-ethoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine

C15H15ClN4OS — CID 58629097

IUPAC5-chloro-N-[1-(6-ethoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCOc1ccc(C(C)Nc2ncnc3scc(Cl)c23)cn1
InChIInChI=1S/C15H15ClN4OS/c1-3-21-12-5-4-10(6-17-12)9(2)20-14-13-11(16)7-22-15(13)19-8-18-14/h4-9H,3H2,1-2H3,(H,18,19,20)
InChIKeyBTWVBFDYKRYVBJ-UHFFFAOYSA-N
MW334.83 g/mol
LogP4.31
Rot. Bonds5

About 5-chloro-N-[1-(6-ethoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine

5-chloro-N-[1-(6-ethoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 58629097) has the molecular formula C15H15ClN4OS and a molecular weight of 334.83 g/mol. Its IUPAC name is 5-chloro-N-[1-(6-ethoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[1-(6-ethoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID58629097
Molecular FormulaC15H15ClN4OS
Molecular Weight334.83 g/mol
Exact Mass334.07
IUPAC Name5-chloro-N-[1-(6-ethoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCOc1ccc(C(C)Nc2ncnc3scc(Cl)c23)cn1
InChIInChI=1S/C15H15ClN4OS/c1-3-21-12-5-4-10(6-17-12)9(2)20-14-13-11(16)7-22-15(13)19-8-18-14/h4-9H,3H2,1-2H3,(H,18,19,20)
InChIKeyBTWVBFDYKRYVBJ-UHFFFAOYSA-N
XLogP4.31
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-N-[1-(6-methoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 58629082
5-chloro-N-[(1R)-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 50914455
5-chloro-N-[1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 50914454
5-chloro-N-[1-(2-chloro-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 58629016
5-chloro-N-[1-[(6-chloro-2-pyridinyl)oxy]propan-2-yl]thieno[2,3-d]pyrimidin-4-amine
CID 58629056
5-chloro-N-[1-[2-(methoxymethyl)cyclopropyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 58629036
5-chloro-N-[1-[1-(4-chlorophenyl)pyrazol-3-yl]oxypropan-2-yl]thieno[2,3-d]pyrimidin-4-amine
CID 134373208
(5-chlorothieno[2,3-d]pyrimidin-4-yl)hydrazine
CID 15746070
5-chloro-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine
CID 15746030
(1S)-1-(6-ethoxy-3-pyridinyl)ethane-1,2-diamine
CID 55275153
N-[1-(4-chlorophenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 60631569
methyl 4-[[(5-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzoate
CID 58629113

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(6-ethoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[1-(6-ethoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 58629097) is 5-chloro-N-[1-(6-ethoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[1-(6-ethoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[1-(6-ethoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine is CCOc1ccc(C(C)Nc2ncnc3scc(Cl)c23)cn1.
What is the InChIKey of 5-chloro-N-[1-(6-ethoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BTWVBFDYKRYVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4OS/c1-3-21-12-5-4-10(6-17-12)9(2)20-14-13-11(16)7-22-15(13)19-8-18-14/h4-9H,3H2,1-2H3,(H,18,19,20).
What are the key properties of 5-chloro-N-[1-(6-ethoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
5-chloro-N-[1-(6-ethoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 334.83 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(6-ethoxy-3-pyridinyl)ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 58629097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).