N-[2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethyl]methanesulfonamide

C7H12FN5O2S — CID 80787470

IUPACN-[2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1nc(N)ncc1F
InChIInChI=1S/C7H12FN5O2S/c1-16(14,15)12-3-2-10-6-5(8)4-11-7(9)13-6/h4,12H,2-3H2,1H3,(H3,9,10,11,13)
InChIKeyGWRRRIHQMFLNOE-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.84
Rot. Bonds5

About N-[2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethyl]methanesulfonamide

N-[2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethyl]methanesulfonamide (PubChem CID 80787470) has the molecular formula C7H12FN5O2S and a molecular weight of 249.27 g/mol. Its IUPAC name is N-[2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethyl]methanesulfonamide
PubChem CID80787470
Molecular FormulaC7H12FN5O2S
Molecular Weight249.27 g/mol
Exact Mass249.07
IUPAC NameN-[2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1nc(N)ncc1F
InChIInChI=1S/C7H12FN5O2S/c1-16(14,15)12-3-2-10-6-5(8)4-11-7(9)13-6/h4,12H,2-3H2,1H3,(H3,9,10,11,13)
InChIKeyGWRRRIHQMFLNOE-UHFFFAOYSA-N
XLogP-0.84
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
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-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethyl]methanesulfonamide (CID 80787470) is N-[2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethyl]methanesulfonamide is CS(=O)(=O)NCCNc1nc(N)ncc1F.
What is the InChIKey of N-[2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethyl]methanesulfonamide?
The InChIKey is GWRRRIHQMFLNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN5O2S/c1-16(14,15)12-3-2-10-6-5(8)4-11-7(9)13-6/h4,12H,2-3H2,1H3,(H3,9,10,11,13).
What are the key properties of N-[2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethyl]methanesulfonamide?
N-[2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethyl]methanesulfonamide has a molecular weight of 249.27 g/mol, XLogP of -0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 80787470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).