N-(furan-2-ylmethyl)-2-methylsulfanylquinazolin-4-amine

C14H13N3OS — CID 3720072

IUPACN-(furan-2-ylmethyl)-2-methylsulfanylquinazolin-4-amine
SMILESCSc1nc(NCc2ccco2)c2ccccc2n1
InChIInChI=1S/C14H13N3OS/c1-19-14-16-12-7-3-2-6-11(12)13(17-14)15-9-10-5-4-8-18-10/h2-8H,9H2,1H3,(H,15,16,17)
InChIKeyCIGMTZDJSAFWMN-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.56
Rot. Bonds4

About N-(furan-2-ylmethyl)-2-methylsulfanylquinazolin-4-amine

N-(furan-2-ylmethyl)-2-methylsulfanylquinazolin-4-amine (PubChem CID 3720072) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-methylsulfanylquinazolin-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-methylsulfanylquinazolin-4-amine
PubChem CID3720072
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC NameN-(furan-2-ylmethyl)-2-methylsulfanylquinazolin-4-amine
SMILESCSc1nc(NCc2ccco2)c2ccccc2n1
InChIInChI=1S/C14H13N3OS/c1-19-14-16-12-7-3-2-6-11(12)13(17-14)15-9-10-5-4-8-18-10/h2-8H,9H2,1H3,(H,15,16,17)
InChIKeyCIGMTZDJSAFWMN-UHFFFAOYSA-N
XLogP3.56
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-methylsulfanylquinazolin-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-2-methylsulfanylquinazolin-4-amine (CID 3720072) is N-(furan-2-ylmethyl)-2-methylsulfanylquinazolin-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-methylsulfanylquinazolin-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-methylsulfanylquinazolin-4-amine is CSc1nc(NCc2ccco2)c2ccccc2n1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-methylsulfanylquinazolin-4-amine?
The InChIKey is CIGMTZDJSAFWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-19-14-16-12-7-3-2-6-11(12)13(17-14)15-9-10-5-4-8-18-10/h2-8H,9H2,1H3,(H,15,16,17).
What are the key properties of N-(furan-2-ylmethyl)-2-methylsulfanylquinazolin-4-amine?
N-(furan-2-ylmethyl)-2-methylsulfanylquinazolin-4-amine has a molecular weight of 271.35 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-methylsulfanylquinazolin-4-amine is sourced from PubChem (CID 3720072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).