2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-methylethanesulfonamide

C8H13BrN4O3S — CID 106337859

IUPAC2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1ncc(Br)c(OC)n1
InChIInChI=1S/C8H13BrN4O3S/c1-10-17(14,15)4-3-11-8-12-5-6(9)7(13-8)16-2/h5,10H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyIXJQIRRVCGRMGW-UHFFFAOYSA-N
MW325.19 g/mol
LogP0.21
Rot. Bonds6

About 2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-methylethanesulfonamide

2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-methylethanesulfonamide (PubChem CID 106337859) has the molecular formula C8H13BrN4O3S and a molecular weight of 325.19 g/mol. Its IUPAC name is 2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-methylethanesulfonamide
PubChem CID106337859
Molecular FormulaC8H13BrN4O3S
Molecular Weight325.19 g/mol
Exact Mass323.99
IUPAC Name2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1ncc(Br)c(OC)n1
InChIInChI=1S/C8H13BrN4O3S/c1-10-17(14,15)4-3-11-8-12-5-6(9)7(13-8)16-2/h5,10H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyIXJQIRRVCGRMGW-UHFFFAOYSA-N
XLogP0.21
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]propane-1-sulfonamide
CID 106997682
5-bromo-4-methoxy-N-(2-methoxyethyl)pyrimidin-2-amine
CID 103726573
5-bromo-4-methoxy-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 103746080
5-bromo-4-methoxy-N-(4-methoxybutyl)pyrimidin-2-amine
CID 103745831
2-[(5-fluoropyrimidin-2-yl)amino]-N-methylethanesulfonamide
CID 102675409
N'-(5-bromo-4-methoxypyrimidin-2-yl)-N-cyclopropylethane-1,2-diamine
CID 106998101
5-bromo-N-(2-cyclobutylethyl)-4-methoxypyrimidin-2-amine
CID 103748709
5-bromo-4-methoxy-N-(3-methylsulfanylbutyl)pyrimidin-2-amine
CID 106997923
5-[(5-bromo-4-methoxypyrimidin-2-yl)amino]pentan-2-ol
CID 107269299
3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N,N-diethylpropanamide
CID 103745855
3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide
CID 103823309
5-bromo-4-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-2-amine
CID 103745781

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-methylethanesulfonamide?
The IUPAC name of 2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-methylethanesulfonamide (CID 106337859) is 2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-methylethanesulfonamide?
The canonical SMILES for 2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-methylethanesulfonamide is CNS(=O)(=O)CCNc1ncc(Br)c(OC)n1.
What is the InChIKey of 2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-methylethanesulfonamide?
The InChIKey is IXJQIRRVCGRMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN4O3S/c1-10-17(14,15)4-3-11-8-12-5-6(9)7(13-8)16-2/h5,10H,3-4H2,1-2H3,(H,11,12,13).
What are the key properties of 2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-methylethanesulfonamide?
2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-methylethanesulfonamide has a molecular weight of 325.19 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-methylethanesulfonamide is sourced from PubChem (CID 106337859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).