2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethanesulfonamide

C6H10FN5O2S — CID 80787091

IUPAC2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethanesulfonamide
SMILESNc1ncc(F)c(NCCS(N)(=O)=O)n1
InChIInChI=1S/C6H10FN5O2S/c7-4-3-11-6(8)12-5(4)10-1-2-15(9,13)14/h3H,1-2H2,(H2,9,13,14)(H3,8,10,11,12)
InChIKeySEHDJTHSOLTMSN-UHFFFAOYSA-N
MW235.24 g/mol
LogP-1.10
Rot. Bonds4

About 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethanesulfonamide

2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethanesulfonamide (PubChem CID 80787091) has the molecular formula C6H10FN5O2S and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethanesulfonamide
PubChem CID80787091
Molecular FormulaC6H10FN5O2S
Molecular Weight235.24 g/mol
Exact Mass235.05
IUPAC Name2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethanesulfonamide
SMILESNc1ncc(F)c(NCCS(N)(=O)=O)n1
InChIInChI=1S/C6H10FN5O2S/c7-4-3-11-6(8)12-5(4)10-1-2-15(9,13)14/h3H,1-2H2,(H2,9,13,14)(H3,8,10,11,12)
InChIKeySEHDJTHSOLTMSN-UHFFFAOYSA-N
XLogP-1.10
TPSA123.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]ethanesulfonamide
CID 79080717
2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106343575
5-fluoro-4-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrimidine-2,4-diamine
CID 80832624
3-[(2-amino-5-bromopyrimidin-4-yl)amino]propane-1-sulfonamide
CID 80819569
3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]propane-1-sulfonamide
CID 80818913
5-fluoro-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80785277
4-N-(2,2-difluoroethyl)-5-fluoropyrimidine-2,4-diamine
CID 115409525
4-N-[4-(dimethylamino)butyl]-5-fluoropyrimidine-2,4-diamine
CID 80816916
2-[2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethoxy]ethanol
CID 80827312
4-[2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethyl]phenol
CID 80798211
5-fluoro-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80828101
4-N-[3-(diethylamino)propyl]-5-fluoropyrimidine-2,4-diamine
CID 80777648

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethanesulfonamide (CID 80787091) is 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethanesulfonamide is Nc1ncc(F)c(NCCS(N)(=O)=O)n1.
What is the InChIKey of 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethanesulfonamide?
The InChIKey is SEHDJTHSOLTMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN5O2S/c7-4-3-11-6(8)12-5(4)10-1-2-15(9,13)14/h3H,1-2H2,(H2,9,13,14)(H3,8,10,11,12).
What are the key properties of 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethanesulfonamide?
2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethanesulfonamide has a molecular weight of 235.24 g/mol, XLogP of -1.10, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethanesulfonamide is sourced from PubChem (CID 80787091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).