N-ethyl-5-fluoro-4-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine

C10H12FN5S — CID 80892185

IUPACN-ethyl-5-fluoro-4-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine
SMILESCCNc1ncc(F)c(Sc2cnn(C)c2)n1
InChIInChI=1S/C10H12FN5S/c1-3-12-10-13-5-8(11)9(15-10)17-7-4-14-16(2)6-7/h4-6H,3H2,1-2H3,(H,12,13,15)
InChIKeyQHHIGDUMYKIIRR-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.93
Rot. Bonds4

About N-ethyl-5-fluoro-4-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine

N-ethyl-5-fluoro-4-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine (PubChem CID 80892185) has the molecular formula C10H12FN5S and a molecular weight of 253.31 g/mol. Its IUPAC name is N-ethyl-5-fluoro-4-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-fluoro-4-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine
PubChem CID80892185
Molecular FormulaC10H12FN5S
Molecular Weight253.31 g/mol
Exact Mass253.08
IUPAC NameN-ethyl-5-fluoro-4-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine
SMILESCCNc1ncc(F)c(Sc2cnn(C)c2)n1
InChIInChI=1S/C10H12FN5S/c1-3-12-10-13-5-8(11)9(15-10)17-7-4-14-16(2)6-7/h4-6H,3H2,1-2H3,(H,12,13,15)
InChIKeyQHHIGDUMYKIIRR-UHFFFAOYSA-N
XLogP1.93
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.93
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-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine?
The IUPAC name of N-ethyl-5-fluoro-4-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine (CID 80892185) is N-ethyl-5-fluoro-4-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-fluoro-4-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-fluoro-4-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine is CCNc1ncc(F)c(Sc2cnn(C)c2)n1.
What is the InChIKey of N-ethyl-5-fluoro-4-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine?
The InChIKey is QHHIGDUMYKIIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5S/c1-3-12-10-13-5-8(11)9(15-10)17-7-4-14-16(2)6-7/h4-6H,3H2,1-2H3,(H,12,13,15).
What are the key properties of N-ethyl-5-fluoro-4-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine?
N-ethyl-5-fluoro-4-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine has a molecular weight of 253.31 g/mol, XLogP of 1.93, 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-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine is sourced from PubChem (CID 80892185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).