2-(4-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine

C15H17N3S — CID 62203690

IUPAC2-(4-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCSc1ccc(-c2nc(N)c3c(n2)CCCC3)cc1
InChIInChI=1S/C15H17N3S/c1-19-11-8-6-10(7-9-11)15-17-13-5-3-2-4-12(13)14(16)18-15/h6-9H,2-5H2,1H3,(H2,16,17,18)
InChIKeyIRYZABILSIBCIL-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.33
Rot. Bonds2

About 2-(4-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine

2-(4-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 62203690) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-(4-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-(4-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID62203690
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name2-(4-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCSc1ccc(-c2nc(N)c3c(n2)CCCC3)cc1
InChIInChI=1S/C15H17N3S/c1-19-11-8-6-10(7-9-11)15-17-13-5-3-2-4-12(13)14(16)18-15/h6-9H,2-5H2,1H3,(H2,16,17,18)
InChIKeyIRYZABILSIBCIL-UHFFFAOYSA-N
XLogP3.33
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-(4-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine (CID 62203690) is 2-(4-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-(4-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-(4-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine is CSc1ccc(-c2nc(N)c3c(n2)CCCC3)cc1.
What is the InChIKey of 2-(4-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is IRYZABILSIBCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-19-11-8-6-10(7-9-11)15-17-13-5-3-2-4-12(13)14(16)18-15/h6-9H,2-5H2,1H3,(H2,16,17,18).
What are the key properties of 2-(4-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
2-(4-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 271.39 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 62203690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).