2-ethylsulfinyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

C10H13N5OS — CID 166810256

IUPAC2-ethylsulfinyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCCS(=O)c1nccc(Nc2cc(C)[nH]n2)n1
InChIInChI=1S/C10H13N5OS/c1-3-17(16)10-11-5-4-8(13-10)12-9-6-7(2)14-15-9/h4-6H,3H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyGEGXXAQOPJFJAT-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.38
Rot. Bonds4

About 2-ethylsulfinyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

2-ethylsulfinyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (PubChem CID 166810256) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-ethylsulfinyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethylsulfinyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
PubChem CID166810256
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name2-ethylsulfinyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCCS(=O)c1nccc(Nc2cc(C)[nH]n2)n1
InChIInChI=1S/C10H13N5OS/c1-3-17(16)10-11-5-4-8(13-10)12-9-6-7(2)14-15-9/h4-6H,3H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyGEGXXAQOPJFJAT-UHFFFAOYSA-N
XLogP1.38
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfinyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The IUPAC name of 2-ethylsulfinyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (CID 166810256) is 2-ethylsulfinyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-ethylsulfinyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2-ethylsulfinyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is CCS(=O)c1nccc(Nc2cc(C)[nH]n2)n1.
What is the InChIKey of 2-ethylsulfinyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The InChIKey is GEGXXAQOPJFJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-3-17(16)10-11-5-4-8(13-10)12-9-6-7(2)14-15-9/h4-6H,3H2,1-2H3,(H2,11,12,13,14,15).
What are the key properties of 2-ethylsulfinyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
2-ethylsulfinyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 251.31 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfinyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 166810256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).