7-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)quinazolin-4-amine

C13H16ClN3S — CID 133322606

IUPAC7-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)quinazolin-4-amine
SMILESCSCC(C)N(C)c1ncnc2cc(Cl)ccc12
InChIInChI=1S/C13H16ClN3S/c1-9(7-18-3)17(2)13-11-5-4-10(14)6-12(11)15-8-16-13/h4-6,8-9H,7H2,1-3H3
InChIKeyGJXWNWYDCNEHDW-UHFFFAOYSA-N
MW281.81 g/mol
LogP3.47
Rot. Bonds4

About 7-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)quinazolin-4-amine

7-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)quinazolin-4-amine (PubChem CID 133322606) has the molecular formula C13H16ClN3S and a molecular weight of 281.81 g/mol. Its IUPAC name is 7-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)quinazolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)quinazolin-4-amine
PubChem CID133322606
Molecular FormulaC13H16ClN3S
Molecular Weight281.81 g/mol
Exact Mass281.08
IUPAC Name7-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)quinazolin-4-amine
SMILESCSCC(C)N(C)c1ncnc2cc(Cl)ccc12
InChIInChI=1S/C13H16ClN3S/c1-9(7-18-3)17(2)13-11-5-4-10(14)6-12(11)15-8-16-13/h4-6,8-9H,7H2,1-3H3
InChIKeyGJXWNWYDCNEHDW-UHFFFAOYSA-N
XLogP3.47
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)quinazolin-4-amine?
The IUPAC name of 7-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)quinazolin-4-amine (CID 133322606) is 7-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)quinazolin-4-amine.
What is the SMILES notation for 7-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)quinazolin-4-amine?
The canonical SMILES for 7-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)quinazolin-4-amine is CSCC(C)N(C)c1ncnc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)quinazolin-4-amine?
The InChIKey is GJXWNWYDCNEHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3S/c1-9(7-18-3)17(2)13-11-5-4-10(14)6-12(11)15-8-16-13/h4-6,8-9H,7H2,1-3H3.
What are the key properties of 7-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)quinazolin-4-amine?
7-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)quinazolin-4-amine has a molecular weight of 281.81 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)quinazolin-4-amine is sourced from PubChem (CID 133322606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).