2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide

C8H14FN5O2S — CID 106343575

IUPAC2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNc1nc(N)ncc1F
InChIInChI=1S/C8H14FN5O2S/c1-14(2)17(15,16)4-3-11-7-6(9)5-12-8(10)13-7/h5H,3-4H2,1-2H3,(H3,10,11,12,13)
InChIKeyDPDYTWQIHGAKCP-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.50
Rot. Bonds5

About 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide

2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide (PubChem CID 106343575) has the molecular formula C8H14FN5O2S and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
PubChem CID106343575
Molecular FormulaC8H14FN5O2S
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNc1nc(N)ncc1F
InChIInChI=1S/C8H14FN5O2S/c1-14(2)17(15,16)4-3-11-7-6(9)5-12-8(10)13-7/h5H,3-4H2,1-2H3,(H3,10,11,12,13)
InChIKeyDPDYTWQIHGAKCP-UHFFFAOYSA-N
XLogP-0.50
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethanesulfonamide
CID 80787091
5-fluoro-4-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrimidine-2,4-diamine
CID 80832624
4-N-[4-(dimethylamino)butyl]-5-fluoropyrimidine-2,4-diamine
CID 80816916
4-N-[3-(diethylamino)propyl]-5-fluoropyrimidine-2,4-diamine
CID 80777648
2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]ethanesulfonamide
CID 79080717
2-[(3-amino-5-bromo-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide
CID 106334551
2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide
CID 106334627
2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 114176047
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
5-fluoro-4-N-[(2,4,6-trifluorophenyl)methyl]pyrimidine-2,4-diamine
CID 141388727
2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide
CID 106343596

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide (CID 106343575) is 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide is CN(C)S(=O)(=O)CCNc1nc(N)ncc1F.
What is the InChIKey of 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide?
The InChIKey is DPDYTWQIHGAKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN5O2S/c1-14(2)17(15,16)4-3-11-7-6(9)5-12-8(10)13-7/h5H,3-4H2,1-2H3,(H3,10,11,12,13).
What are the key properties of 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide?
2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide has a molecular weight of 263.30 g/mol, XLogP of -0.50, 5 rotatable bonds, 2 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]-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 106343575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).