N-methyl-N-[(5-methylthiophen-2-yl)methyl]quinazolin-4-amine

C15H15N3S — CID 171702612

IUPACN-methyl-N-[(5-methylthiophen-2-yl)methyl]quinazolin-4-amine
SMILESCc1ccc(CN(C)c2ncnc3ccccc23)s1
InChIInChI=1S/C15H15N3S/c1-11-7-8-12(19-11)9-18(2)15-13-5-3-4-6-14(13)16-10-17-15/h3-8,10H,9H2,1-2H3
InChIKeyADJMIQOBCSUQED-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.64
Rot. Bonds3

About N-methyl-N-[(5-methylthiophen-2-yl)methyl]quinazolin-4-amine

N-methyl-N-[(5-methylthiophen-2-yl)methyl]quinazolin-4-amine (PubChem CID 171702612) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-methyl-N-[(5-methylthiophen-2-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[(5-methylthiophen-2-yl)methyl]quinazolin-4-amine
PubChem CID171702612
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC NameN-methyl-N-[(5-methylthiophen-2-yl)methyl]quinazolin-4-amine
SMILESCc1ccc(CN(C)c2ncnc3ccccc23)s1
InChIInChI=1S/C15H15N3S/c1-11-7-8-12(19-11)9-18(2)15-13-5-3-4-6-14(13)16-10-17-15/h3-8,10H,9H2,1-2H3
InChIKeyADJMIQOBCSUQED-UHFFFAOYSA-N
XLogP3.64
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[(5-methylthiophen-2-yl)methyl]quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylthiophen-2-yl)methyl]quinazolin-4-amine?
The IUPAC name of N-methyl-N-[(5-methylthiophen-2-yl)methyl]quinazolin-4-amine (CID 171702612) is N-methyl-N-[(5-methylthiophen-2-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for N-methyl-N-[(5-methylthiophen-2-yl)methyl]quinazolin-4-amine?
The canonical SMILES for N-methyl-N-[(5-methylthiophen-2-yl)methyl]quinazolin-4-amine is Cc1ccc(CN(C)c2ncnc3ccccc23)s1.
What is the InChIKey of N-methyl-N-[(5-methylthiophen-2-yl)methyl]quinazolin-4-amine?
The InChIKey is ADJMIQOBCSUQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-11-7-8-12(19-11)9-18(2)15-13-5-3-4-6-14(13)16-10-17-15/h3-8,10H,9H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methylthiophen-2-yl)methyl]quinazolin-4-amine?
N-methyl-N-[(5-methylthiophen-2-yl)methyl]quinazolin-4-amine has a molecular weight of 269.37 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylthiophen-2-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 171702612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).