N-[2-[4-(2-phenylethoxy)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine

C22H21N3OS — CID 23631937

IUPACN-[2-[4-(2-phenylethoxy)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine
SMILESc1ccc(CCOc2ccc(CCNc3ncnc4ccsc34)cc2)cc1
InChIInChI=1S/C22H21N3OS/c1-2-4-17(5-3-1)11-14-26-19-8-6-18(7-9-19)10-13-23-22-21-20(12-15-27-21)24-16-25-22/h1-9,12,15-16H,10-11,13-14H2,(H,23,24,25)
InChIKeyXAUHCXBWSQAJGA-UHFFFAOYSA-N
MW375.50 g/mol
LogP4.97
Rot. Bonds8

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

N-[2-[4-(2-phenylethoxy)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 23631937) has the molecular formula C22H21N3OS and a molecular weight of 375.50 g/mol. Its IUPAC name is N-[2-[4-(2-phenylethoxy)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-[4-(2-phenylethoxy)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID23631937
Molecular FormulaC22H21N3OS
Molecular Weight375.50 g/mol
Exact Mass375.14
IUPAC NameN-[2-[4-(2-phenylethoxy)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine
SMILESc1ccc(CCOc2ccc(CCNc3ncnc4ccsc34)cc2)cc1
InChIInChI=1S/C22H21N3OS/c1-2-4-17(5-3-1)11-14-26-19-8-6-18(7-9-19)10-13-23-22-21-20(12-15-27-21)24-16-25-22/h1-9,12,15-16H,10-11,13-14H2,(H,23,24,25)
InChIKeyXAUHCXBWSQAJGA-UHFFFAOYSA-N
XLogP4.97
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[4-(2-phenylethoxy)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-(2-pyridin-4-ylethyl)thieno[3,2-d]pyrimidin-4-amine
CID 54943655
N-(4-phenylmethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
CID 22112865
N-(4-phenylbutan-2-yl)thieno[3,2-d]pyrimidin-4-amine
CID 60701821
2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanethiol
CID 58265115
2-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethoxy]ethanol
CID 60701626
ethane;N-[2-[4-(1H-imidazo[4,5-b]pyridin-2-ylamino)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 91097825
N-(4-benzylphenyl)thieno[3,2-d]pyrimidin-4-amine;hydrochloride
CID 22112828
N-[2-[4-[2-(4-phenylmethoxyphenyl)ethoxy]phenyl]ethyl]pteridin-4-amine;4-[2-(pteridin-4-ylamino)ethyl]phenol
CID 161366630
(3S)-3-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-dihydroindol-2-one
CID 51614521
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 103744781
N'-methyl-N'-phenyl-N-thieno[3,2-d]pyrimidin-4-ylpropane-1,3-diamine
CID 43236143
N'-propan-2-yl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine
CID 62663575

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-phenylethoxy)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[2-[4-(2-phenylethoxy)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine (CID 23631937) is N-[2-[4-(2-phenylethoxy)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-[4-(2-phenylethoxy)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-[4-(2-phenylethoxy)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine is c1ccc(CCOc2ccc(CCNc3ncnc4ccsc34)cc2)cc1.
What is the InChIKey of N-[2-[4-(2-phenylethoxy)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is XAUHCXBWSQAJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3OS/c1-2-4-17(5-3-1)11-14-26-19-8-6-18(7-9-19)10-13-23-22-21-20(12-15-27-21)24-16-25-22/h1-9,12,15-16H,10-11,13-14H2,(H,23,24,25).
What are the key properties of N-[2-[4-(2-phenylethoxy)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine?
N-[2-[4-(2-phenylethoxy)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 375.50 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-phenylethoxy)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 23631937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).