2-(6-fluoroquinazolin-4-yl)sulfanyl-N,N-dimethylethanamine

C12H14FN3S — CID 133429829

IUPAC2-(6-fluoroquinazolin-4-yl)sulfanyl-N,N-dimethylethanamine
SMILESCN(C)CCSc1ncnc2ccc(F)cc12
InChIInChI=1S/C12H14FN3S/c1-16(2)5-6-17-12-10-7-9(13)3-4-11(10)14-8-15-12/h3-4,7-8H,5-6H2,1-2H3
InChIKeyOSZMQUCUISWHDF-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.42
Rot. Bonds4

About 2-(6-fluoroquinazolin-4-yl)sulfanyl-N,N-dimethylethanamine

2-(6-fluoroquinazolin-4-yl)sulfanyl-N,N-dimethylethanamine (PubChem CID 133429829) has the molecular formula C12H14FN3S and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(6-fluoroquinazolin-4-yl)sulfanyl-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(6-fluoroquinazolin-4-yl)sulfanyl-N,N-dimethylethanamine
PubChem CID133429829
Molecular FormulaC12H14FN3S
Molecular Weight251.33 g/mol
Exact Mass251.09
IUPAC Name2-(6-fluoroquinazolin-4-yl)sulfanyl-N,N-dimethylethanamine
SMILESCN(C)CCSc1ncnc2ccc(F)cc12
InChIInChI=1S/C12H14FN3S/c1-16(2)5-6-17-12-10-7-9(13)3-4-11(10)14-8-15-12/h3-4,7-8H,5-6H2,1-2H3
InChIKeyOSZMQUCUISWHDF-UHFFFAOYSA-N
XLogP2.42
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoroquinazolin-4-yl)sulfanyl-N,N-dimethylethanamine?
The IUPAC name of 2-(6-fluoroquinazolin-4-yl)sulfanyl-N,N-dimethylethanamine (CID 133429829) is 2-(6-fluoroquinazolin-4-yl)sulfanyl-N,N-dimethylethanamine.
What is the SMILES notation for 2-(6-fluoroquinazolin-4-yl)sulfanyl-N,N-dimethylethanamine?
The canonical SMILES for 2-(6-fluoroquinazolin-4-yl)sulfanyl-N,N-dimethylethanamine is CN(C)CCSc1ncnc2ccc(F)cc12.
What is the InChIKey of 2-(6-fluoroquinazolin-4-yl)sulfanyl-N,N-dimethylethanamine?
The InChIKey is OSZMQUCUISWHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3S/c1-16(2)5-6-17-12-10-7-9(13)3-4-11(10)14-8-15-12/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 2-(6-fluoroquinazolin-4-yl)sulfanyl-N,N-dimethylethanamine?
2-(6-fluoroquinazolin-4-yl)sulfanyl-N,N-dimethylethanamine has a molecular weight of 251.33 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoroquinazolin-4-yl)sulfanyl-N,N-dimethylethanamine is sourced from PubChem (CID 133429829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).