N-methyl-2-methylsulfanylquinazolin-4-amine

C10H11N3S — CID 5193836

IUPACN-methyl-2-methylsulfanylquinazolin-4-amine
SMILESCNc1nc(SC)nc2ccccc12
InChIInChI=1S/C10H11N3S/c1-11-9-7-5-3-4-6-8(7)12-10(13-9)14-2/h3-6H,1-2H3,(H,11,12,13)
InChIKeyVSPFGWZJQAHKLL-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.39
Rot. Bonds2

About N-methyl-2-methylsulfanylquinazolin-4-amine

N-methyl-2-methylsulfanylquinazolin-4-amine (PubChem CID 5193836) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is N-methyl-2-methylsulfanylquinazolin-4-amine.

Molecular Properties

Compound NameN-methyl-2-methylsulfanylquinazolin-4-amine
PubChem CID5193836
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC NameN-methyl-2-methylsulfanylquinazolin-4-amine
SMILESCNc1nc(SC)nc2ccccc12
InChIInChI=1S/C10H11N3S/c1-11-9-7-5-3-4-6-8(7)12-10(13-9)14-2/h3-6H,1-2H3,(H,11,12,13)
InChIKeyVSPFGWZJQAHKLL-UHFFFAOYSA-N
XLogP2.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfanylquinazolin-4-amine?
The IUPAC name of N-methyl-2-methylsulfanylquinazolin-4-amine (CID 5193836) is N-methyl-2-methylsulfanylquinazolin-4-amine.
What is the SMILES notation for N-methyl-2-methylsulfanylquinazolin-4-amine?
The canonical SMILES for N-methyl-2-methylsulfanylquinazolin-4-amine is CNc1nc(SC)nc2ccccc12.
What is the InChIKey of N-methyl-2-methylsulfanylquinazolin-4-amine?
The InChIKey is VSPFGWZJQAHKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-11-9-7-5-3-4-6-8(7)12-10(13-9)14-2/h3-6H,1-2H3,(H,11,12,13).
What are the key properties of N-methyl-2-methylsulfanylquinazolin-4-amine?
N-methyl-2-methylsulfanylquinazolin-4-amine has a molecular weight of 205.29 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfanylquinazolin-4-amine is sourced from PubChem (CID 5193836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).