N'-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)methanesulfonohydrazide

C10H16N6O2S — CID 59267266

IUPACN'-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)methanesulfonohydrazide
SMILESCC(C)n1ccc2c(NNS(C)(=O)=O)nc(N)nc21
InChIInChI=1S/C10H16N6O2S/c1-6(2)16-5-4-7-8(14-15-19(3,17)18)12-10(11)13-9(7)16/h4-6,15H,1-3H3,(H3,11,12,13,14)
InChIKeyWIICIOALUNQTSR-UHFFFAOYSA-N
MW284.35 g/mol
LogP0.47
Rot. Bonds4

About N'-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)methanesulfonohydrazide

N'-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)methanesulfonohydrazide (PubChem CID 59267266) has the molecular formula C10H16N6O2S and a molecular weight of 284.35 g/mol. Its IUPAC name is N'-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)methanesulfonohydrazide.

Molecular Properties

Compound NameN'-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)methanesulfonohydrazide
PubChem CID59267266
Molecular FormulaC10H16N6O2S
Molecular Weight284.35 g/mol
Exact Mass284.11
IUPAC NameN'-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)methanesulfonohydrazide
SMILESCC(C)n1ccc2c(NNS(C)(=O)=O)nc(N)nc21
InChIInChI=1S/C10H16N6O2S/c1-6(2)16-5-4-7-8(14-15-19(3,17)18)12-10(11)13-9(7)16/h4-6,15H,1-3H3,(H3,11,12,13,14)
InChIKeyWIICIOALUNQTSR-UHFFFAOYSA-N
XLogP0.47
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(cis-3-(Methyl(7H-pyrrolo(2,3-d)pyrimidin-4-yl)amino)cyclobutyl)-1-propanesulfonamide
CID 78323835
N-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanesulfonamide
CID 122199230
2-Methyl-N-[cis-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)cyclobutyl]-1-propanesulfonamide
CID 78323837
N-methyl-N-[(3R)-1-methylsulfonylpyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 134537167
N-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]cyclopropanesulfonamide
CID 137635161
1-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]-N-propylmethanesulfonamide
CID 137636771
3-N-(ethylsulfamoyl)-1-N-methyl-1-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)cyclobutane-1,3-diamine
CID 137638414
N-ethyl-1-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanesulfonamide
CID 137641404
Abrocitinib Impurity 53
CID 137643915
4-[[3-[[ethyl(methyl)sulfamoyl]amino]cyclobutyl]-methylamino]-7H-pyrrolo[2,3-d]pyrimidine
CID 137646834
Abrocitinib Impurity 29
CID 137654686
1-N-methyl-3-N-(propylsulfamoyl)-1-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)cyclobutane-1,3-diamine
CID 137660642

Frequently Asked Questions

What is the IUPAC name of N'-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)methanesulfonohydrazide?
The IUPAC name of N'-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)methanesulfonohydrazide (CID 59267266) is N'-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)methanesulfonohydrazide.
What is the SMILES notation for N'-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)methanesulfonohydrazide?
The canonical SMILES for N'-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)methanesulfonohydrazide is CC(C)n1ccc2c(NNS(C)(=O)=O)nc(N)nc21.
What is the InChIKey of N'-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)methanesulfonohydrazide?
The InChIKey is WIICIOALUNQTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2S/c1-6(2)16-5-4-7-8(14-15-19(3,17)18)12-10(11)13-9(7)16/h4-6,15H,1-3H3,(H3,11,12,13,14).
What are the key properties of N'-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)methanesulfonohydrazide?
N'-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)methanesulfonohydrazide has a molecular weight of 284.35 g/mol, XLogP of 0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)methanesulfonohydrazide is sourced from PubChem (CID 59267266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).