N-ethyl-5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine

C11H12FN5S — CID 80892128

IUPACN-ethyl-5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine
SMILESCCNc1ncc(F)c(Sc2nccc(C)n2)n1
InChIInChI=1S/C11H12FN5S/c1-3-13-10-15-6-8(12)9(17-10)18-11-14-5-4-7(2)16-11/h4-6H,3H2,1-2H3,(H,13,15,17)
InChIKeyJEJFYJRLNVDBRQ-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.30
Rot. Bonds4

About N-ethyl-5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine

N-ethyl-5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine (PubChem CID 80892128) has the molecular formula C11H12FN5S and a molecular weight of 265.32 g/mol. Its IUPAC name is N-ethyl-5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine
PubChem CID80892128
Molecular FormulaC11H12FN5S
Molecular Weight265.32 g/mol
Exact Mass265.08
IUPAC NameN-ethyl-5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine
SMILESCCNc1ncc(F)c(Sc2nccc(C)n2)n1
InChIInChI=1S/C11H12FN5S/c1-3-13-10-15-6-8(12)9(17-10)18-11-14-5-4-7(2)16-11/h4-6H,3H2,1-2H3,(H,13,15,17)
InChIKeyJEJFYJRLNVDBRQ-UHFFFAOYSA-N
XLogP2.30
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine?
The IUPAC name of N-ethyl-5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine (CID 80892128) is N-ethyl-5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine is CCNc1ncc(F)c(Sc2nccc(C)n2)n1.
What is the InChIKey of N-ethyl-5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine?
The InChIKey is JEJFYJRLNVDBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5S/c1-3-13-10-15-6-8(12)9(17-10)18-11-14-5-4-7(2)16-11/h4-6H,3H2,1-2H3,(H,13,15,17).
What are the key properties of N-ethyl-5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine?
N-ethyl-5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine has a molecular weight of 265.32 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine is sourced from PubChem (CID 80892128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).