N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylthieno[2,3-d]pyrimidin-4-amine

C17H19N3O2S — CID 2401215

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CCN(C)c2ncnc3sccc23)cc1OC
InChIInChI=1S/C17H19N3O2S/c1-20(16-13-7-9-23-17(13)19-11-18-16)8-6-12-4-5-14(21-2)15(10-12)22-3/h4-5,7,9-11H,6,8H2,1-3H3
InChIKeyXTLPYUFAGALPGN-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.39
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylthieno[2,3-d]pyrimidin-4-amine

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 2401215) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID2401215
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CCN(C)c2ncnc3sccc23)cc1OC
InChIInChI=1S/C17H19N3O2S/c1-20(16-13-7-9-23-17(13)19-11-18-16)8-6-12-4-5-14(21-2)15(10-12)22-3/h4-5,7,9-11H,6,8H2,1-3H3
InChIKeyXTLPYUFAGALPGN-UHFFFAOYSA-N
XLogP3.39
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylthieno[2,3-d]pyrimidin-4-amine (CID 2401215) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylthieno[2,3-d]pyrimidin-4-amine is COc1ccc(CCN(C)c2ncnc3sccc23)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is XTLPYUFAGALPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-20(16-13-7-9-23-17(13)19-11-18-16)8-6-12-4-5-14(21-2)15(10-12)22-3/h4-5,7,9-11H,6,8H2,1-3H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 329.43 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2401215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).