N-methyl-1-[2-(4-methylthiophen-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine

C15H19N3S — CID 81425043

IUPACN-methyl-1-[2-(4-methylthiophen-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
SMILESCNCC1CCc2nc(-c3cscc3C)ncc2C1
InChIInChI=1S/C15H19N3S/c1-10-8-19-9-13(10)15-17-7-12-5-11(6-16-2)3-4-14(12)18-15/h7-9,11,16H,3-6H2,1-2H3
InChIKeyKWGFXOFKPPSGFN-UHFFFAOYSA-N
MW273.40 g/mol
LogP2.84
Rot. Bonds3

About N-methyl-1-[2-(4-methylthiophen-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine

N-methyl-1-[2-(4-methylthiophen-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine (PubChem CID 81425043) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-methyl-1-[2-(4-methylthiophen-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(4-methylthiophen-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
PubChem CID81425043
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC NameN-methyl-1-[2-(4-methylthiophen-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
SMILESCNCC1CCc2nc(-c3cscc3C)ncc2C1
InChIInChI=1S/C15H19N3S/c1-10-8-19-9-13(10)15-17-7-12-5-11(6-16-2)3-4-14(12)18-15/h7-9,11,16H,3-6H2,1-2H3
InChIKeyKWGFXOFKPPSGFN-UHFFFAOYSA-N
XLogP2.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(4-methylthiophen-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(4-methylthiophen-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine (CID 81425043) is N-methyl-1-[2-(4-methylthiophen-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(4-methylthiophen-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(4-methylthiophen-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine is CNCC1CCc2nc(-c3cscc3C)ncc2C1.
What is the InChIKey of N-methyl-1-[2-(4-methylthiophen-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The InChIKey is KWGFXOFKPPSGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-10-8-19-9-13(10)15-17-7-12-5-11(6-16-2)3-4-14(12)18-15/h7-9,11,16H,3-6H2,1-2H3.
What are the key properties of N-methyl-1-[2-(4-methylthiophen-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
N-methyl-1-[2-(4-methylthiophen-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine has a molecular weight of 273.40 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(4-methylthiophen-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine is sourced from PubChem (CID 81425043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).