2-amino-N-(2-hydroxypropyl)-N-methylpyrimidine-5-sulfonamide

C8H14N4O3S — CID 62336474

IUPAC2-amino-N-(2-hydroxypropyl)-N-methylpyrimidine-5-sulfonamide
SMILESCC(O)CN(C)S(=O)(=O)c1cnc(N)nc1
InChIInChI=1S/C8H14N4O3S/c1-6(13)5-12(2)16(14,15)7-3-10-8(9)11-4-7/h3-4,6,13H,5H2,1-2H3,(H2,9,10,11)
InChIKeyIWHHMDBQZCRJKG-UHFFFAOYSA-N
MW246.29 g/mol
LogP-0.94
Rot. Bonds4

About 2-amino-N-(2-hydroxypropyl)-N-methylpyrimidine-5-sulfonamide

2-amino-N-(2-hydroxypropyl)-N-methylpyrimidine-5-sulfonamide (PubChem CID 62336474) has the molecular formula C8H14N4O3S and a molecular weight of 246.29 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxypropyl)-N-methylpyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxypropyl)-N-methylpyrimidine-5-sulfonamide
PubChem CID62336474
Molecular FormulaC8H14N4O3S
Molecular Weight246.29 g/mol
Exact Mass246.08
IUPAC Name2-amino-N-(2-hydroxypropyl)-N-methylpyrimidine-5-sulfonamide
SMILESCC(O)CN(C)S(=O)(=O)c1cnc(N)nc1
InChIInChI=1S/C8H14N4O3S/c1-6(13)5-12(2)16(14,15)7-3-10-8(9)11-4-7/h3-4,6,13H,5H2,1-2H3,(H2,9,10,11)
InChIKeyIWHHMDBQZCRJKG-UHFFFAOYSA-N
XLogP-0.94
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-methyl-N-(2-methylpropyl)pyrimidine-5-sulfonamide
CID 62143970
2-amino-N-methyl-N-(2-methylsulfonylethyl)pyrimidine-5-sulfonamide
CID 79864717
2-amino-N-(2-hydroxyethyl)-N-propan-2-ylpyrimidine-5-sulfonamide
CID 62153161
6-(ethylamino)-N-(2-hydroxypropyl)-N-methylpyridine-3-sulfonamide
CID 62337809
N-(2-hydroxypropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide
CID 55060830
3-amino-4-bromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 115329228
3-amino-4-fluoro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 55061064
2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyrimidine-5-sulfonamide
CID 64518721
6-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide
CID 62153514
2-amino-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
CID 62333869
N-(2-hydroxypropyl)-N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 55060733
2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidine-5-sulfonamide
CID 112664023

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxypropyl)-N-methylpyrimidine-5-sulfonamide?
The IUPAC name of 2-amino-N-(2-hydroxypropyl)-N-methylpyrimidine-5-sulfonamide (CID 62336474) is 2-amino-N-(2-hydroxypropyl)-N-methylpyrimidine-5-sulfonamide.
What is the SMILES notation for 2-amino-N-(2-hydroxypropyl)-N-methylpyrimidine-5-sulfonamide?
The canonical SMILES for 2-amino-N-(2-hydroxypropyl)-N-methylpyrimidine-5-sulfonamide is CC(O)CN(C)S(=O)(=O)c1cnc(N)nc1.
What is the InChIKey of 2-amino-N-(2-hydroxypropyl)-N-methylpyrimidine-5-sulfonamide?
The InChIKey is IWHHMDBQZCRJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3S/c1-6(13)5-12(2)16(14,15)7-3-10-8(9)11-4-7/h3-4,6,13H,5H2,1-2H3,(H2,9,10,11).
What are the key properties of 2-amino-N-(2-hydroxypropyl)-N-methylpyrimidine-5-sulfonamide?
2-amino-N-(2-hydroxypropyl)-N-methylpyrimidine-5-sulfonamide has a molecular weight of 246.29 g/mol, XLogP of -0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxypropyl)-N-methylpyrimidine-5-sulfonamide is sourced from PubChem (CID 62336474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).