2-[(2-fluorophenyl)sulfanylmethyl]-5,6,7,8-tetrahydroquinazolin-4-amine

C15H16FN3S — CID 66053879

IUPAC2-[(2-fluorophenyl)sulfanylmethyl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESNc1nc(CSc2ccccc2F)nc2c1CCCC2
InChIInChI=1S/C15H16FN3S/c16-11-6-2-4-8-13(11)20-9-14-18-12-7-3-1-5-10(12)15(17)19-14/h2,4,6,8H,1,3,5,7,9H2,(H2,17,18,19)
InChIKeyNJLSXQUHSQZZNG-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.37
Rot. Bonds3

About 2-[(2-fluorophenyl)sulfanylmethyl]-5,6,7,8-tetrahydroquinazolin-4-amine

2-[(2-fluorophenyl)sulfanylmethyl]-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 66053879) has the molecular formula C15H16FN3S and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)sulfanylmethyl]-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-[(2-fluorophenyl)sulfanylmethyl]-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID66053879
Molecular FormulaC15H16FN3S
Molecular Weight289.38 g/mol
Exact Mass289.10
IUPAC Name2-[(2-fluorophenyl)sulfanylmethyl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESNc1nc(CSc2ccccc2F)nc2c1CCCC2
InChIInChI=1S/C15H16FN3S/c16-11-6-2-4-8-13(11)20-9-14-18-12-7-3-1-5-10(12)15(17)19-14/h2,4,6,8H,1,3,5,7,9H2,(H2,17,18,19)
InChIKeyNJLSXQUHSQZZNG-UHFFFAOYSA-N
XLogP3.37
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2-fluorophenyl)sulfanylmethyl]-5,6,7,8-tetrahydroquinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-fluorophenyl)sulfanylmethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83189973
2-[(4-chlorophenyl)sulfanylmethyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 66143223
2-[(3-methylphenyl)sulfanylmethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 66088183
2-[(2-fluorophenyl)sulfanylmethyl]-5-iodo-6-methylpyrimidin-4-amine
CID 66305099
2-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472183
4-[(2-fluorophenyl)sulfanylmethyl]-6-methyl-1,3,5-triazin-2-amine
CID 66085806
4,6-dichloro-5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidine
CID 80550431
4-cyclopentyl-6-[(2-fluorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine
CID 66083075
N-methyl-2-[(2-methylphenyl)sulfanylmethyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 66098036
2-(tert-butylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 65137814
2-[(2-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62190657
5-bromo-2-[(2-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 66299180

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)sulfanylmethyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-[(2-fluorophenyl)sulfanylmethyl]-5,6,7,8-tetrahydroquinazolin-4-amine (CID 66053879) is 2-[(2-fluorophenyl)sulfanylmethyl]-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-[(2-fluorophenyl)sulfanylmethyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-[(2-fluorophenyl)sulfanylmethyl]-5,6,7,8-tetrahydroquinazolin-4-amine is Nc1nc(CSc2ccccc2F)nc2c1CCCC2.
What is the InChIKey of 2-[(2-fluorophenyl)sulfanylmethyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is NJLSXQUHSQZZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3S/c16-11-6-2-4-8-13(11)20-9-14-18-12-7-3-1-5-10(12)15(17)19-14/h2,4,6,8H,1,3,5,7,9H2,(H2,17,18,19).
What are the key properties of 2-[(2-fluorophenyl)sulfanylmethyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
2-[(2-fluorophenyl)sulfanylmethyl]-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 289.38 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)sulfanylmethyl]-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 66053879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).