[2-[(2-fluorophenyl)sulfanylmethyl]-5-methylpyrimidin-4-yl]methanamine

C13H14FN3S — CID 114245147

IUPAC[2-[(2-fluorophenyl)sulfanylmethyl]-5-methylpyrimidin-4-yl]methanamine
SMILESCc1cnc(CSc2ccccc2F)nc1CN
InChIInChI=1S/C13H14FN3S/c1-9-7-16-13(17-11(9)6-15)8-18-12-5-3-2-4-10(12)14/h2-5,7H,6,8,15H2,1H3
InChIKeyKCCFKUVIUDBHCT-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.68
Rot. Bonds4

About [2-[(2-fluorophenyl)sulfanylmethyl]-5-methylpyrimidin-4-yl]methanamine

[2-[(2-fluorophenyl)sulfanylmethyl]-5-methylpyrimidin-4-yl]methanamine (PubChem CID 114245147) has the molecular formula C13H14FN3S and a molecular weight of 263.34 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)sulfanylmethyl]-5-methylpyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)sulfanylmethyl]-5-methylpyrimidin-4-yl]methanamine
PubChem CID114245147
Molecular FormulaC13H14FN3S
Molecular Weight263.34 g/mol
Exact Mass263.09
IUPAC Name[2-[(2-fluorophenyl)sulfanylmethyl]-5-methylpyrimidin-4-yl]methanamine
SMILESCc1cnc(CSc2ccccc2F)nc1CN
InChIInChI=1S/C13H14FN3S/c1-9-7-16-13(17-11(9)6-15)8-18-12-5-3-2-4-10(12)14/h2-5,7H,6,8,15H2,1H3
InChIKeyKCCFKUVIUDBHCT-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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Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)sulfanylmethyl]-5-methylpyrimidin-4-yl]methanamine?
The IUPAC name of [2-[(2-fluorophenyl)sulfanylmethyl]-5-methylpyrimidin-4-yl]methanamine (CID 114245147) is [2-[(2-fluorophenyl)sulfanylmethyl]-5-methylpyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-[(2-fluorophenyl)sulfanylmethyl]-5-methylpyrimidin-4-yl]methanamine?
The canonical SMILES for [2-[(2-fluorophenyl)sulfanylmethyl]-5-methylpyrimidin-4-yl]methanamine is Cc1cnc(CSc2ccccc2F)nc1CN.
What is the InChIKey of [2-[(2-fluorophenyl)sulfanylmethyl]-5-methylpyrimidin-4-yl]methanamine?
The InChIKey is KCCFKUVIUDBHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3S/c1-9-7-16-13(17-11(9)6-15)8-18-12-5-3-2-4-10(12)14/h2-5,7H,6,8,15H2,1H3.
What are the key properties of [2-[(2-fluorophenyl)sulfanylmethyl]-5-methylpyrimidin-4-yl]methanamine?
[2-[(2-fluorophenyl)sulfanylmethyl]-5-methylpyrimidin-4-yl]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 [2-[(2-fluorophenyl)sulfanylmethyl]-5-methylpyrimidin-4-yl]methanamine is sourced from PubChem (CID 114245147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).