4-cyclohexylsulfanylquinazolin-2-amine

C14H17N3S — CID 80886122

IUPAC4-cyclohexylsulfanylquinazolin-2-amine
SMILESNc1nc(SC2CCCCC2)c2ccccc2n1
InChIInChI=1S/C14H17N3S/c15-14-16-12-9-5-4-8-11(12)13(17-14)18-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H2,15,16,17)
InChIKeyCRYGWUJOVMIYAY-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.64
Rot. Bonds2

About 4-cyclohexylsulfanylquinazolin-2-amine

4-cyclohexylsulfanylquinazolin-2-amine (PubChem CID 80886122) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 4-cyclohexylsulfanylquinazolin-2-amine.

Molecular Properties

Compound Name4-cyclohexylsulfanylquinazolin-2-amine
PubChem CID80886122
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name4-cyclohexylsulfanylquinazolin-2-amine
SMILESNc1nc(SC2CCCCC2)c2ccccc2n1
InChIInChI=1S/C14H17N3S/c15-14-16-12-9-5-4-8-11(12)13(17-14)18-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H2,15,16,17)
InChIKeyCRYGWUJOVMIYAY-UHFFFAOYSA-N
XLogP3.64
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylsulfanylquinazolin-2-amine?
The IUPAC name of 4-cyclohexylsulfanylquinazolin-2-amine (CID 80886122) is 4-cyclohexylsulfanylquinazolin-2-amine.
What is the SMILES notation for 4-cyclohexylsulfanylquinazolin-2-amine?
The canonical SMILES for 4-cyclohexylsulfanylquinazolin-2-amine is Nc1nc(SC2CCCCC2)c2ccccc2n1.
What is the InChIKey of 4-cyclohexylsulfanylquinazolin-2-amine?
The InChIKey is CRYGWUJOVMIYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c15-14-16-12-9-5-4-8-11(12)13(17-14)18-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H2,15,16,17).
What are the key properties of 4-cyclohexylsulfanylquinazolin-2-amine?
4-cyclohexylsulfanylquinazolin-2-amine has a molecular weight of 259.38 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylsulfanylquinazolin-2-amine is sourced from PubChem (CID 80886122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).