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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).