(2-methylquinazolin-4-yl)-(4-methylsulfanylphenyl)methanamine

C17H17N3S — CID 67337970

IUPAC(2-methylquinazolin-4-yl)-(4-methylsulfanylphenyl)methanamine
SMILESCSc1ccc(C(N)c2nc(C)nc3ccccc23)cc1
InChIInChI=1S/C17H17N3S/c1-11-19-15-6-4-3-5-14(15)17(20-11)16(18)12-7-9-13(21-2)10-8-12/h3-10,16H,18H2,1-2H3
InChIKeyDAGAMOGHKBVXDX-UHFFFAOYSA-N
MW295.41 g/mol
LogP3.71
Rot. Bonds3

About (2-methylquinazolin-4-yl)-(4-methylsulfanylphenyl)methanamine

(2-methylquinazolin-4-yl)-(4-methylsulfanylphenyl)methanamine (PubChem CID 67337970) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is (2-methylquinazolin-4-yl)-(4-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name(2-methylquinazolin-4-yl)-(4-methylsulfanylphenyl)methanamine
PubChem CID67337970
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC Name(2-methylquinazolin-4-yl)-(4-methylsulfanylphenyl)methanamine
SMILESCSc1ccc(C(N)c2nc(C)nc3ccccc23)cc1
InChIInChI=1S/C17H17N3S/c1-11-19-15-6-4-3-5-14(15)17(20-11)16(18)12-7-9-13(21-2)10-8-12/h3-10,16H,18H2,1-2H3
InChIKeyDAGAMOGHKBVXDX-UHFFFAOYSA-N
XLogP3.71
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methylquinazolin-4-yl)-(4-methylsulfanylphenyl)methanamine?
The IUPAC name of (2-methylquinazolin-4-yl)-(4-methylsulfanylphenyl)methanamine (CID 67337970) is (2-methylquinazolin-4-yl)-(4-methylsulfanylphenyl)methanamine.
What is the SMILES notation for (2-methylquinazolin-4-yl)-(4-methylsulfanylphenyl)methanamine?
The canonical SMILES for (2-methylquinazolin-4-yl)-(4-methylsulfanylphenyl)methanamine is CSc1ccc(C(N)c2nc(C)nc3ccccc23)cc1.
What is the InChIKey of (2-methylquinazolin-4-yl)-(4-methylsulfanylphenyl)methanamine?
The InChIKey is DAGAMOGHKBVXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c1-11-19-15-6-4-3-5-14(15)17(20-11)16(18)12-7-9-13(21-2)10-8-12/h3-10,16H,18H2,1-2H3.
What are the key properties of (2-methylquinazolin-4-yl)-(4-methylsulfanylphenyl)methanamine?
(2-methylquinazolin-4-yl)-(4-methylsulfanylphenyl)methanamine has a molecular weight of 295.41 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylquinazolin-4-yl)-(4-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 67337970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).