5-ethyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidin-4-amine

C10H13N5S — CID 80892560

IUPAC5-ethyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidin-4-amine
SMILESCCc1c(N)ncnc1Sc1cnn(C)c1
InChIInChI=1S/C10H13N5S/c1-3-8-9(11)12-6-13-10(8)16-7-4-14-15(2)5-7/h4-6H,3H2,1-2H3,(H2,11,12,13)
InChIKeyBVJCNLWSYKKIGF-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.51
Rot. Bonds3

About 5-ethyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidin-4-amine

5-ethyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidin-4-amine (PubChem CID 80892560) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is 5-ethyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidin-4-amine
PubChem CID80892560
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC Name5-ethyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidin-4-amine
SMILESCCc1c(N)ncnc1Sc1cnn(C)c1
InChIInChI=1S/C10H13N5S/c1-3-8-9(11)12-6-13-10(8)16-7-4-14-15(2)5-7/h4-6H,3H2,1-2H3,(H2,11,12,13)
InChIKeyBVJCNLWSYKKIGF-UHFFFAOYSA-N
XLogP1.51
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidin-4-amine (CID 80892560) is 5-ethyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidin-4-amine is CCc1c(N)ncnc1Sc1cnn(C)c1.
What is the InChIKey of 5-ethyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidin-4-amine?
The InChIKey is BVJCNLWSYKKIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c1-3-8-9(11)12-6-13-10(8)16-7-4-14-15(2)5-7/h4-6H,3H2,1-2H3,(H2,11,12,13).
What are the key properties of 5-ethyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidin-4-amine?
5-ethyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidin-4-amine has a molecular weight of 235.32 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidin-4-amine is sourced from PubChem (CID 80892560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).