N-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]methanesulfonamide

C7H13N5O3S — CID 136974027

IUPACN-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C7H13N5O3S/c1-16(14,15)12-3-2-9-6-5(8)7(13)11-4-10-6/h4,12H,2-3,8H2,1H3,(H2,9,10,11,13)
InChIKeySGTZWIXBZLSYGM-UHFFFAOYSA-N
MW247.28 g/mol
LogP-1.69
Rot. Bonds5

About N-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]methanesulfonamide

N-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]methanesulfonamide (PubChem CID 136974027) has the molecular formula C7H13N5O3S and a molecular weight of 247.28 g/mol. Its IUPAC name is N-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]methanesulfonamide
PubChem CID136974027
Molecular FormulaC7H13N5O3S
Molecular Weight247.28 g/mol
Exact Mass247.07
IUPAC NameN-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C7H13N5O3S/c1-16(14,15)12-3-2-9-6-5(8)7(13)11-4-10-6/h4,12H,2-3,8H2,1H3,(H2,9,10,11,13)
InChIKeySGTZWIXBZLSYGM-UHFFFAOYSA-N
XLogP-1.69
TPSA129.97 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 5-1.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]methanesulfonamide (CID 136974027) is N-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]methanesulfonamide is CS(=O)(=O)NCCNc1nc[nH]c(=O)c1N.
What is the InChIKey of N-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]methanesulfonamide?
The InChIKey is SGTZWIXBZLSYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O3S/c1-16(14,15)12-3-2-9-6-5(8)7(13)11-4-10-6/h4,12H,2-3,8H2,1H3,(H2,9,10,11,13).
What are the key properties of N-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]methanesulfonamide?
N-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]methanesulfonamide has a molecular weight of 247.28 g/mol, XLogP of -1.69, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 136974027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).