2-[(2-bromophenyl)sulfanylmethyl]-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine

C14H15BrFN3S — CID 66145076

IUPAC2-[(2-bromophenyl)sulfanylmethyl]-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine
SMILESCCNc1nc(CSc2ccccc2Br)nc(C)c1F
InChIInChI=1S/C14H15BrFN3S/c1-3-17-14-13(16)9(2)18-12(19-14)8-20-11-7-5-4-6-10(11)15/h4-7H,3,8H2,1-2H3,(H,17,18,19)
InChIKeyAZHFJXGKRJHJRR-UHFFFAOYSA-N
MW356.26 g/mol
LogP4.41
Rot. Bonds5

About 2-[(2-bromophenyl)sulfanylmethyl]-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine

2-[(2-bromophenyl)sulfanylmethyl]-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine (PubChem CID 66145076) has the molecular formula C14H15BrFN3S and a molecular weight of 356.26 g/mol. Its IUPAC name is 2-[(2-bromophenyl)sulfanylmethyl]-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2-bromophenyl)sulfanylmethyl]-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine
PubChem CID66145076
Molecular FormulaC14H15BrFN3S
Molecular Weight356.26 g/mol
Exact Mass355.02
IUPAC Name2-[(2-bromophenyl)sulfanylmethyl]-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine
SMILESCCNc1nc(CSc2ccccc2Br)nc(C)c1F
InChIInChI=1S/C14H15BrFN3S/c1-3-17-14-13(16)9(2)18-12(19-14)8-20-11-7-5-4-6-10(11)15/h4-7H,3,8H2,1-2H3,(H,17,18,19)
InChIKeyAZHFJXGKRJHJRR-UHFFFAOYSA-N
XLogP4.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)sulfanylmethyl]-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[(2-bromophenyl)sulfanylmethyl]-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine (CID 66145076) is 2-[(2-bromophenyl)sulfanylmethyl]-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(2-bromophenyl)sulfanylmethyl]-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(2-bromophenyl)sulfanylmethyl]-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine is CCNc1nc(CSc2ccccc2Br)nc(C)c1F.
What is the InChIKey of 2-[(2-bromophenyl)sulfanylmethyl]-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine?
The InChIKey is AZHFJXGKRJHJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3S/c1-3-17-14-13(16)9(2)18-12(19-14)8-20-11-7-5-4-6-10(11)15/h4-7H,3,8H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[(2-bromophenyl)sulfanylmethyl]-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine?
2-[(2-bromophenyl)sulfanylmethyl]-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine has a molecular weight of 356.26 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)sulfanylmethyl]-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine is sourced from PubChem (CID 66145076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).