4-(2-ethylsulfanylethyl)quinazolin-2-amine

C12H15N3S — CID 154004824

IUPAC4-(2-ethylsulfanylethyl)quinazolin-2-amine
SMILESCCSCCc1nc(N)nc2ccccc12
InChIInChI=1S/C12H15N3S/c1-2-16-8-7-11-9-5-3-4-6-10(9)14-12(13)15-11/h3-6H,2,7-8H2,1H3,(H2,13,14,15)
InChIKeyKGYYZNWNSQOLOV-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.51
Rot. Bonds4

About 4-(2-ethylsulfanylethyl)quinazolin-2-amine

4-(2-ethylsulfanylethyl)quinazolin-2-amine (PubChem CID 154004824) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 4-(2-ethylsulfanylethyl)quinazolin-2-amine.

Molecular Properties

Compound Name4-(2-ethylsulfanylethyl)quinazolin-2-amine
PubChem CID154004824
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name4-(2-ethylsulfanylethyl)quinazolin-2-amine
SMILESCCSCCc1nc(N)nc2ccccc12
InChIInChI=1S/C12H15N3S/c1-2-16-8-7-11-9-5-3-4-6-10(9)14-12(13)15-11/h3-6H,2,7-8H2,1H3,(H2,13,14,15)
InChIKeyKGYYZNWNSQOLOV-UHFFFAOYSA-N
XLogP2.51
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethylquinazolin-2-amine
CID 10352174
4-[2-(3-methylphenyl)sulfanylethyl]quinazolin-2-amine
CID 154004853
4-(3-propan-2-yloxypropyl)quinazolin-2-amine
CID 154004886
4-[4-(2-methoxyphenoxy)butyl]quinazolin-2-amine
CID 154004944
4-[7-(4-methylphenoxy)heptyl]quinazolin-2-amine
CID 154005030
4-[3-(4-chlorophenoxy)propyl]quinazolin-2-amine
CID 154004906
hydrazine;platinum;quinazoline-2,4-diamine
CID 175421188
4-[3-(2-ethylhexoxy)propyl]quinazolin-2-amine
CID 154004889
2-methyl-4-propylquinazoline
CID 22419316
4-N-methyl-4-N-pentan-3-ylquinazoline-2,4-diamine
CID 80793845
4-[5-(2-chlorophenoxy)pentyl]quinazolin-2-amine
CID 154004984
2-(2-methylquinazolin-4-yl)ethanamine
CID 82372179

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylsulfanylethyl)quinazolin-2-amine?
The IUPAC name of 4-(2-ethylsulfanylethyl)quinazolin-2-amine (CID 154004824) is 4-(2-ethylsulfanylethyl)quinazolin-2-amine.
What is the SMILES notation for 4-(2-ethylsulfanylethyl)quinazolin-2-amine?
The canonical SMILES for 4-(2-ethylsulfanylethyl)quinazolin-2-amine is CCSCCc1nc(N)nc2ccccc12.
What is the InChIKey of 4-(2-ethylsulfanylethyl)quinazolin-2-amine?
The InChIKey is KGYYZNWNSQOLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-2-16-8-7-11-9-5-3-4-6-10(9)14-12(13)15-11/h3-6H,2,7-8H2,1H3,(H2,13,14,15).
What are the key properties of 4-(2-ethylsulfanylethyl)quinazolin-2-amine?
4-(2-ethylsulfanylethyl)quinazolin-2-amine has a molecular weight of 233.34 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylsulfanylethyl)quinazolin-2-amine is sourced from PubChem (CID 154004824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).