N-[2-(4-methoxyphenoxy)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine

C16H17N3O2S — CID 133408034

IUPACN-[2-(4-methoxyphenoxy)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(OCCNc2ncnc3sc(C)cc23)cc1
InChIInChI=1S/C16H17N3O2S/c1-11-9-14-15(18-10-19-16(14)22-11)17-7-8-21-13-5-3-12(20-2)4-6-13/h3-6,9-10H,7-8H2,1-2H3,(H,17,18,19)
InChIKeyLHFGMOJSDNJNEB-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.50
Rot. Bonds6

About N-[2-(4-methoxyphenoxy)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine

N-[2-(4-methoxyphenoxy)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 133408034) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID133408034
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(OCCNc2ncnc3sc(C)cc23)cc1
InChIInChI=1S/C16H17N3O2S/c1-11-9-14-15(18-10-19-16(14)22-11)17-7-8-21-13-5-3-12(20-2)4-6-13/h3-6,9-10H,7-8H2,1-2H3,(H,17,18,19)
InChIKeyLHFGMOJSDNJNEB-UHFFFAOYSA-N
XLogP3.50
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethoxy]ethanol
CID 28850882
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 2229408
N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine
CID 12928811
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 39084934
6-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 133434436
4-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol
CID 28850872
6-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133407869
N-(3-methoxypropyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39084785
N-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 133408802
N-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzamide
CID 133408754
N-[3-(2-aminoethoxy)phenyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 63616720
6-methoxy-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine
CID 82453533

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 133408034) is N-[2-(4-methoxyphenoxy)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine is COc1ccc(OCCNc2ncnc3sc(C)cc23)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LHFGMOJSDNJNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-11-9-14-15(18-10-19-16(14)22-11)17-7-8-21-13-5-3-12(20-2)4-6-13/h3-6,9-10H,7-8H2,1-2H3,(H,17,18,19).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
N-[2-(4-methoxyphenoxy)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 315.40 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133408034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).