[4-fluoro-2-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine

C15H18FN3S — CID 65043451

IUPAC[4-fluoro-2-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine
SMILESCc1nc(SCc2cc(F)ccc2CN)nc(C)c1C
InChIInChI=1S/C15H18FN3S/c1-9-10(2)18-15(19-11(9)3)20-8-13-6-14(16)5-4-12(13)7-17/h4-6H,7-8,17H2,1-3H3
InChIKeyVXYFRAZQKBQMBD-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.29
Rot. Bonds4

About [4-fluoro-2-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine

[4-fluoro-2-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine (PubChem CID 65043451) has the molecular formula C15H18FN3S and a molecular weight of 291.40 g/mol. Its IUPAC name is [4-fluoro-2-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-fluoro-2-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine
PubChem CID65043451
Molecular FormulaC15H18FN3S
Molecular Weight291.40 g/mol
Exact Mass291.12
IUPAC Name[4-fluoro-2-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine
SMILESCc1nc(SCc2cc(F)ccc2CN)nc(C)c1C
InChIInChI=1S/C15H18FN3S/c1-9-10(2)18-15(19-11(9)3)20-8-13-6-14(16)5-4-12(13)7-17/h4-6H,7-8,17H2,1-3H3
InChIKeyVXYFRAZQKBQMBD-UHFFFAOYSA-N
XLogP3.29
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-fluoro-2-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine 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

[3-methyl-4-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine
CID 114484773
[4-fluoro-2-[(4-methylphenyl)sulfanylmethyl]phenyl]methanamine
CID 64764660
[2-methoxy-5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine
CID 65340371
[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876
[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]methanamine
CID 63289440
[2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-fluorophenyl]methanamine
CID 64765032
[5-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]phenyl]methanamine
CID 63289523
[4-fluoro-2-(thiophen-2-ylsulfanylmethyl)phenyl]methanamine
CID 64763920
[5-fluoro-2-[(2-methylphenyl)sulfanylmethyl]phenyl]methanamine
CID 55173090
[2-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-5-fluorophenyl]methanamine
CID 63289695
[2-[(3-bromo-2-pyridinyl)sulfanylmethyl]-4-fluorophenyl]methanamine
CID 64765590
2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-fluorobenzonitrile
CID 103759983

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine?
The IUPAC name of [4-fluoro-2-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine (CID 65043451) is [4-fluoro-2-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine.
What is the SMILES notation for [4-fluoro-2-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine?
The canonical SMILES for [4-fluoro-2-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine is Cc1nc(SCc2cc(F)ccc2CN)nc(C)c1C.
What is the InChIKey of [4-fluoro-2-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine?
The InChIKey is VXYFRAZQKBQMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3S/c1-9-10(2)18-15(19-11(9)3)20-8-13-6-14(16)5-4-12(13)7-17/h4-6H,7-8,17H2,1-3H3.
What are the key properties of [4-fluoro-2-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine?
[4-fluoro-2-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine has a molecular weight of 291.40 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine is sourced from PubChem (CID 65043451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).