2-(1-methylpyrazol-4-yl)sulfanylpyrimidin-5-amine

C8H9N5S — CID 61384698

IUPAC2-(1-methylpyrazol-4-yl)sulfanylpyrimidin-5-amine
SMILESCn1cc(Sc2ncc(N)cn2)cn1
InChIInChI=1S/C8H9N5S/c1-13-5-7(4-12-13)14-8-10-2-6(9)3-11-8/h2-5H,9H2,1H3
InChIKeyWSLVZYADGRLCHU-UHFFFAOYSA-N
MW207.26 g/mol
LogP0.94
Rot. Bonds2

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

2-(1-methylpyrazol-4-yl)sulfanylpyrimidin-5-amine (PubChem CID 61384698) has the molecular formula C8H9N5S and a molecular weight of 207.26 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)sulfanylpyrimidin-5-amine.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)sulfanylpyrimidin-5-amine
PubChem CID61384698
Molecular FormulaC8H9N5S
Molecular Weight207.26 g/mol
Exact Mass207.06
IUPAC Name2-(1-methylpyrazol-4-yl)sulfanylpyrimidin-5-amine
SMILESCn1cc(Sc2ncc(N)cn2)cn1
InChIInChI=1S/C8H9N5S/c1-13-5-7(4-12-13)14-8-10-2-6(9)3-11-8/h2-5H,9H2,1H3
InChIKeyWSLVZYADGRLCHU-UHFFFAOYSA-N
XLogP0.94
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)sulfanylpyrimidin-5-amine?
The IUPAC name of 2-(1-methylpyrazol-4-yl)sulfanylpyrimidin-5-amine (CID 61384698) is 2-(1-methylpyrazol-4-yl)sulfanylpyrimidin-5-amine.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)sulfanylpyrimidin-5-amine?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)sulfanylpyrimidin-5-amine is Cn1cc(Sc2ncc(N)cn2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)sulfanylpyrimidin-5-amine?
The InChIKey is WSLVZYADGRLCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5S/c1-13-5-7(4-12-13)14-8-10-2-6(9)3-11-8/h2-5H,9H2,1H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)sulfanylpyrimidin-5-amine?
2-(1-methylpyrazol-4-yl)sulfanylpyrimidin-5-amine has a molecular weight of 207.26 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)sulfanylpyrimidin-5-amine is sourced from PubChem (CID 61384698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).