N,N-dimethyl-2-methylsulfanylquinazolin-4-amine

C11H13N3S — CID 3743824

IUPACN,N-dimethyl-2-methylsulfanylquinazolin-4-amine
SMILESCSc1nc(N(C)C)c2ccccc2n1
InChIInChI=1S/C11H13N3S/c1-14(2)10-8-6-4-5-7-9(8)12-11(13-10)15-3/h4-7H,1-3H3
InChIKeyKGOWOUCRJSTHHU-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.42
Rot. Bonds2

About N,N-dimethyl-2-methylsulfanylquinazolin-4-amine

N,N-dimethyl-2-methylsulfanylquinazolin-4-amine (PubChem CID 3743824) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is N,N-dimethyl-2-methylsulfanylquinazolin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-methylsulfanylquinazolin-4-amine
PubChem CID3743824
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC NameN,N-dimethyl-2-methylsulfanylquinazolin-4-amine
SMILESCSc1nc(N(C)C)c2ccccc2n1
InChIInChI=1S/C11H13N3S/c1-14(2)10-8-6-4-5-7-9(8)12-11(13-10)15-3/h4-7H,1-3H3
InChIKeyKGOWOUCRJSTHHU-UHFFFAOYSA-N
XLogP2.42
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-methylsulfanylquinazolin-4-amine?
The IUPAC name of N,N-dimethyl-2-methylsulfanylquinazolin-4-amine (CID 3743824) is N,N-dimethyl-2-methylsulfanylquinazolin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-methylsulfanylquinazolin-4-amine?
The canonical SMILES for N,N-dimethyl-2-methylsulfanylquinazolin-4-amine is CSc1nc(N(C)C)c2ccccc2n1.
What is the InChIKey of N,N-dimethyl-2-methylsulfanylquinazolin-4-amine?
The InChIKey is KGOWOUCRJSTHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-14(2)10-8-6-4-5-7-9(8)12-11(13-10)15-3/h4-7H,1-3H3.
What are the key properties of N,N-dimethyl-2-methylsulfanylquinazolin-4-amine?
N,N-dimethyl-2-methylsulfanylquinazolin-4-amine has a molecular weight of 219.31 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-methylsulfanylquinazolin-4-amine is sourced from PubChem (CID 3743824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).