6-[1-(4-chlorophenyl)ethylsulfanyl]quinazoline-2,4-diamine

C16H15ClN4S — CID 605977

IUPAC6-[1-(4-chlorophenyl)ethylsulfanyl]quinazoline-2,4-diamine
SMILESCC(Sc1ccc2nc(N)nc(N)c2c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN4S/c1-9(10-2-4-11(17)5-3-10)22-12-6-7-14-13(8-12)15(18)21-16(19)20-14/h2-9H,1H3,(H4,18,19,20,21)
InChIKeyINNLLOVXPZWYDT-UHFFFAOYSA-N
MW330.84 g/mol
LogP4.30
Rot. Bonds3

About 6-[1-(4-chlorophenyl)ethylsulfanyl]quinazoline-2,4-diamine

6-[1-(4-chlorophenyl)ethylsulfanyl]quinazoline-2,4-diamine (PubChem CID 605977) has the molecular formula C16H15ClN4S and a molecular weight of 330.84 g/mol. Its IUPAC name is 6-[1-(4-chlorophenyl)ethylsulfanyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name6-[1-(4-chlorophenyl)ethylsulfanyl]quinazoline-2,4-diamine
PubChem CID605977
Molecular FormulaC16H15ClN4S
Molecular Weight330.84 g/mol
Exact Mass330.07
IUPAC Name6-[1-(4-chlorophenyl)ethylsulfanyl]quinazoline-2,4-diamine
SMILESCC(Sc1ccc2nc(N)nc(N)c2c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN4S/c1-9(10-2-4-11(17)5-3-10)22-12-6-7-14-13(8-12)15(18)21-16(19)20-14/h2-9H,1H3,(H4,18,19,20,21)
InChIKeyINNLLOVXPZWYDT-UHFFFAOYSA-N
XLogP4.30
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-chlorophenyl)ethylsulfanyl]quinazoline-2,4-diamine?
The IUPAC name of 6-[1-(4-chlorophenyl)ethylsulfanyl]quinazoline-2,4-diamine (CID 605977) is 6-[1-(4-chlorophenyl)ethylsulfanyl]quinazoline-2,4-diamine.
What is the SMILES notation for 6-[1-(4-chlorophenyl)ethylsulfanyl]quinazoline-2,4-diamine?
The canonical SMILES for 6-[1-(4-chlorophenyl)ethylsulfanyl]quinazoline-2,4-diamine is CC(Sc1ccc2nc(N)nc(N)c2c1)c1ccc(Cl)cc1.
What is the InChIKey of 6-[1-(4-chlorophenyl)ethylsulfanyl]quinazoline-2,4-diamine?
The InChIKey is INNLLOVXPZWYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4S/c1-9(10-2-4-11(17)5-3-10)22-12-6-7-14-13(8-12)15(18)21-16(19)20-14/h2-9H,1H3,(H4,18,19,20,21).
What are the key properties of 6-[1-(4-chlorophenyl)ethylsulfanyl]quinazoline-2,4-diamine?
6-[1-(4-chlorophenyl)ethylsulfanyl]quinazoline-2,4-diamine has a molecular weight of 330.84 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-chlorophenyl)ethylsulfanyl]quinazoline-2,4-diamine is sourced from PubChem (CID 605977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).