N-[2-(4-methoxyphenyl)ethyl]-5-methylthieno[2,3-d]pyrimidin-4-amine

C16H17N3OS — CID 23631944

IUPACN-[2-(4-methoxyphenyl)ethyl]-5-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CCNc2ncnc3scc(C)c23)cc1
InChIInChI=1S/C16H17N3OS/c1-11-9-21-16-14(11)15(18-10-19-16)17-8-7-12-3-5-13(20-2)6-4-12/h3-6,9-10H,7-8H2,1-2H3,(H,17,18,19)
InChIKeySYQZVQZOBFCWGL-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.66
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]-5-methylthieno[2,3-d]pyrimidin-4-amine

N-[2-(4-methoxyphenyl)ethyl]-5-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 23631944) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-5-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-5-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID23631944
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-5-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CCNc2ncnc3scc(C)c23)cc1
InChIInChI=1S/C16H17N3OS/c1-11-9-21-16-14(11)15(18-10-19-16)17-8-7-12-3-5-13(20-2)6-4-12/h3-6,9-10H,7-8H2,1-2H3,(H,17,18,19)
InChIKeySYQZVQZOBFCWGL-UHFFFAOYSA-N
XLogP3.66
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-5-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-5-methylthieno[2,3-d]pyrimidin-4-amine (CID 23631944) is N-[2-(4-methoxyphenyl)ethyl]-5-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-5-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-5-methylthieno[2,3-d]pyrimidin-4-amine is COc1ccc(CCNc2ncnc3scc(C)c23)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-5-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is SYQZVQZOBFCWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-11-9-21-16-14(11)15(18-10-19-16)17-8-7-12-3-5-13(20-2)6-4-12/h3-6,9-10H,7-8H2,1-2H3,(H,17,18,19).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-5-methylthieno[2,3-d]pyrimidin-4-amine?
N-[2-(4-methoxyphenyl)ethyl]-5-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 299.40 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-5-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 23631944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).