N-(4-methylphenyl)-2-methylsulfanylquinazolin-4-amine

C16H15N3S — CID 86199310

IUPACN-(4-methylphenyl)-2-methylsulfanylquinazolin-4-amine
SMILESCSc1nc(Nc2ccc(C)cc2)c2ccccc2n1
InChIInChI=1S/C16H15N3S/c1-11-7-9-12(10-8-11)17-15-13-5-3-4-6-14(13)18-16(19-15)20-2/h3-10H,1-2H3,(H,17,18,19)
InChIKeyKJNSPDIEGROYAG-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.40
Rot. Bonds3

About N-(4-methylphenyl)-2-methylsulfanylquinazolin-4-amine

N-(4-methylphenyl)-2-methylsulfanylquinazolin-4-amine (PubChem CID 86199310) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-methylsulfanylquinazolin-4-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-methylsulfanylquinazolin-4-amine
PubChem CID86199310
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC NameN-(4-methylphenyl)-2-methylsulfanylquinazolin-4-amine
SMILESCSc1nc(Nc2ccc(C)cc2)c2ccccc2n1
InChIInChI=1S/C16H15N3S/c1-11-7-9-12(10-8-11)17-15-13-5-3-4-6-14(13)18-16(19-15)20-2/h3-10H,1-2H3,(H,17,18,19)
InChIKeyKJNSPDIEGROYAG-UHFFFAOYSA-N
XLogP4.40
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-methylsulfanylquinazolin-4-amine?
The IUPAC name of N-(4-methylphenyl)-2-methylsulfanylquinazolin-4-amine (CID 86199310) is N-(4-methylphenyl)-2-methylsulfanylquinazolin-4-amine.
What is the SMILES notation for N-(4-methylphenyl)-2-methylsulfanylquinazolin-4-amine?
The canonical SMILES for N-(4-methylphenyl)-2-methylsulfanylquinazolin-4-amine is CSc1nc(Nc2ccc(C)cc2)c2ccccc2n1.
What is the InChIKey of N-(4-methylphenyl)-2-methylsulfanylquinazolin-4-amine?
The InChIKey is KJNSPDIEGROYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-11-7-9-12(10-8-11)17-15-13-5-3-4-6-14(13)18-16(19-15)20-2/h3-10H,1-2H3,(H,17,18,19).
What are the key properties of N-(4-methylphenyl)-2-methylsulfanylquinazolin-4-amine?
N-(4-methylphenyl)-2-methylsulfanylquinazolin-4-amine has a molecular weight of 281.38 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-methylsulfanylquinazolin-4-amine is sourced from PubChem (CID 86199310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).