molecular hydrogen;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-2-amine

C19H22N6O2S — CID 157317773

IUPACmolecular hydrogen;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-2-amine
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4cnc(N)nc4)c3n2)cc1.[H][H].[H][H]
InChIInChI=1S/C19H18N6O2S.2H2/c1-11(2)28(26,27)14-5-3-12(4-6-14)16-10-22-18-17(25-16)15(9-21-18)13-7-23-19(20)24-8-13;;/h3-11H,1-2H3,(H,21,22)(H2,20,23,24);2*1H
InChIKeyBDURTKOMIQYJSE-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.34
Rot. Bonds4

About molecular hydrogen;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-2-amine

molecular hydrogen;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-2-amine (PubChem CID 157317773) has the molecular formula C19H22N6O2S and a molecular weight of 398.49 g/mol. Its IUPAC name is molecular hydrogen;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-2-amine.

Molecular Properties

Compound Namemolecular hydrogen;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-2-amine
PubChem CID157317773
Molecular FormulaC19H22N6O2S
Molecular Weight398.49 g/mol
Exact Mass398.15
IUPAC Namemolecular hydrogen;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-2-amine
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4cnc(N)nc4)c3n2)cc1.[H][H].[H][H]
InChIInChI=1S/C19H18N6O2S.2H2/c1-11(2)28(26,27)14-5-3-12(4-6-14)16-10-22-18-17(25-16)15(9-21-18)13-7-23-19(20)24-8-13;;/h3-11H,1-2H3,(H,21,22)(H2,20,23,24);2*1H
InChIKeyBDURTKOMIQYJSE-UHFFFAOYSA-N
XLogP3.34
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-2-amine?
The IUPAC name of molecular hydrogen;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-2-amine (CID 157317773) is molecular hydrogen;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-2-amine.
What is the SMILES notation for molecular hydrogen;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-2-amine?
The canonical SMILES for molecular hydrogen;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-2-amine is CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4cnc(N)nc4)c3n2)cc1.[H][H].[H][H].
What is the InChIKey of molecular hydrogen;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-2-amine?
The InChIKey is BDURTKOMIQYJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2S.2H2/c1-11(2)28(26,27)14-5-3-12(4-6-14)16-10-22-18-17(25-16)15(9-21-18)13-7-23-19(20)24-8-13;;/h3-11H,1-2H3,(H,21,22)(H2,20,23,24);2*1H.
What are the key properties of molecular hydrogen;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-2-amine?
molecular hydrogen;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-2-amine has a molecular weight of 398.49 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-2-amine is sourced from PubChem (CID 157317773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).