N-[1-(2-aminophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine

C15H16N4S — CID 63618764

IUPACN-[1-(2-aminophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NC(C)c3ccccc3N)ncnc2s1
InChIInChI=1S/C15H16N4S/c1-9-7-12-14(17-8-18-15(12)20-9)19-10(2)11-5-3-4-6-13(11)16/h3-8,10H,16H2,1-2H3,(H,17,18,19)
InChIKeyIJIJYFTYQYDWBB-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.76
Rot. Bonds3

About N-[1-(2-aminophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine

N-[1-(2-aminophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 63618764) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is N-[1-(2-aminophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(2-aminophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID63618764
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC NameN-[1-(2-aminophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NC(C)c3ccccc3N)ncnc2s1
InChIInChI=1S/C15H16N4S/c1-9-7-12-14(17-8-18-15(12)20-9)19-10(2)11-5-3-4-6-13(11)16/h3-8,10H,16H2,1-2H3,(H,17,18,19)
InChIKeyIJIJYFTYQYDWBB-UHFFFAOYSA-N
XLogP3.76
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(2-aminophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 63618764) is N-[1-(2-aminophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(2-aminophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(2-aminophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine is Cc1cc2c(NC(C)c3ccccc3N)ncnc2s1.
What is the InChIKey of N-[1-(2-aminophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is IJIJYFTYQYDWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-9-7-12-14(17-8-18-15(12)20-9)19-10(2)11-5-3-4-6-13(11)16/h3-8,10H,16H2,1-2H3,(H,17,18,19).
What are the key properties of N-[1-(2-aminophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
N-[1-(2-aminophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 284.39 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 63618764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).