N-[1-(4-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine

C15H15N3OS — CID 62048196

IUPACN-[1-(4-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCOc1ccc(C(C)Nc2ncnc3ccsc23)cc1
InChIInChI=1S/C15H15N3OS/c1-10(11-3-5-12(19-2)6-4-11)18-15-14-13(7-8-20-14)16-9-17-15/h3-10H,1-2H3,(H,16,17,18)
InChIKeyLWCDIXMFUBFEMS-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.87
Rot. Bonds4

About N-[1-(4-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine

N-[1-(4-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 62048196) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID62048196
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCOc1ccc(C(C)Nc2ncnc3ccsc23)cc1
InChIInChI=1S/C15H15N3OS/c1-10(11-3-5-12(19-2)6-4-11)18-15-14-13(7-8-20-14)16-9-17-15/h3-10H,1-2H3,(H,16,17,18)
InChIKeyLWCDIXMFUBFEMS-UHFFFAOYSA-N
XLogP3.87
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine (CID 62048196) is N-[1-(4-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine is COc1ccc(C(C)Nc2ncnc3ccsc23)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is LWCDIXMFUBFEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-10(11-3-5-12(19-2)6-4-11)18-15-14-13(7-8-20-14)16-9-17-15/h3-10H,1-2H3,(H,16,17,18).
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine?
N-[1-(4-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 285.37 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 62048196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).