[3-fluoro-4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine

C13H14FN3S — CID 62268739

IUPAC[3-fluoro-4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine
SMILESCc1ccnc(SCc2ccc(CN)cc2F)n1
InChIInChI=1S/C13H14FN3S/c1-9-4-5-16-13(17-9)18-8-11-3-2-10(7-15)6-12(11)14/h2-6H,7-8,15H2,1H3
InChIKeyFFMBYHBNFPNAOY-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.68
Rot. Bonds4

About [3-fluoro-4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine

[3-fluoro-4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine (PubChem CID 62268739) has the molecular formula C13H14FN3S and a molecular weight of 263.34 g/mol. Its IUPAC name is [3-fluoro-4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine
PubChem CID62268739
Molecular FormulaC13H14FN3S
Molecular Weight263.34 g/mol
Exact Mass263.09
IUPAC Name[3-fluoro-4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine
SMILESCc1ccnc(SCc2ccc(CN)cc2F)n1
InChIInChI=1S/C13H14FN3S/c1-9-4-5-16-13(17-9)18-8-11-3-2-10(7-15)6-12(11)14/h2-6H,7-8,15H2,1H3
InChIKeyFFMBYHBNFPNAOY-UHFFFAOYSA-N
XLogP2.68
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-fluorophenyl)methylsulfanyl]-4-methylpyrimidine
CID 5048437
[3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-fluorophenyl]methanamine
CID 62304801
[3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine
CID 55128212
4-methyl-2-[[2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]pyrimidine
CID 1046861
4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-3-(trifluoromethyl)aniline
CID 81117556
[3-chloro-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine
CID 102669136
2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]aniline
CID 62268189
2-[(2,3-dichloro-4-pyridinyl)methylsulfanyl]-4-methylpyrimidine
CID 123240573
[4-[(2,5-difluorophenyl)sulfanylmethyl]-3-fluorophenyl]methanamine
CID 43530758
2-[(2-fluoro-3-nitrophenyl)methylsulfanyl]-4-methylpyrimidine
CID 107349702
[3-fluoro-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]phenyl]boronic acid
CID 79706694
[3-methyl-4-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine
CID 114484773

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine?
The IUPAC name of [3-fluoro-4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine (CID 62268739) is [3-fluoro-4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine.
What is the SMILES notation for [3-fluoro-4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine?
The canonical SMILES for [3-fluoro-4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine is Cc1ccnc(SCc2ccc(CN)cc2F)n1.
What is the InChIKey of [3-fluoro-4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine?
The InChIKey is FFMBYHBNFPNAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3S/c1-9-4-5-16-13(17-9)18-8-11-3-2-10(7-15)6-12(11)14/h2-6H,7-8,15H2,1H3.
What are the key properties of [3-fluoro-4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine?
[3-fluoro-4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine has a molecular weight of 263.34 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine is sourced from PubChem (CID 62268739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).