2-amino-N-methyl-N-(2-methylpropyl)pyrimidine-5-sulfonamide

C9H16N4O2S — CID 62143970

IUPAC2-amino-N-methyl-N-(2-methylpropyl)pyrimidine-5-sulfonamide
SMILESCC(C)CN(C)S(=O)(=O)c1cnc(N)nc1
InChIInChI=1S/C9H16N4O2S/c1-7(2)6-13(3)16(14,15)8-4-11-9(10)12-5-8/h4-5,7H,6H2,1-3H3,(H2,10,11,12)
InChIKeyCAPAORYDVGOQGC-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.34
Rot. Bonds4

About 2-amino-N-methyl-N-(2-methylpropyl)pyrimidine-5-sulfonamide

2-amino-N-methyl-N-(2-methylpropyl)pyrimidine-5-sulfonamide (PubChem CID 62143970) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-amino-N-methyl-N-(2-methylpropyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-(2-methylpropyl)pyrimidine-5-sulfonamide
PubChem CID62143970
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC Name2-amino-N-methyl-N-(2-methylpropyl)pyrimidine-5-sulfonamide
SMILESCC(C)CN(C)S(=O)(=O)c1cnc(N)nc1
InChIInChI=1S/C9H16N4O2S/c1-7(2)6-13(3)16(14,15)8-4-11-9(10)12-5-8/h4-5,7H,6H2,1-3H3,(H2,10,11,12)
InChIKeyCAPAORYDVGOQGC-UHFFFAOYSA-N
XLogP0.34
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(2-hydroxypropyl)-N-methylpyrimidine-5-sulfonamide
CID 62336474
2-amino-N-methyl-N-(2-methylsulfonylethyl)pyrimidine-5-sulfonamide
CID 79864717
4-(aminomethyl)-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43272087
2-amino-N-(2-hydroxyethyl)-N-propan-2-ylpyrimidine-5-sulfonamide
CID 62153161
6-amino-N-methyl-N-(3-methylbutyl)pyridine-3-sulfonamide
CID 62152603
2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyrimidine-5-sulfonamide
CID 64518721
2-hydrazinyl-N-methyl-N-(2-methylpropyl)pyridine-4-sulfonamide
CID 61003232
2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidine-5-sulfonamide
CID 112664023
2-amino-N-cyclopentyl-N-methylpyrimidine-5-sulfonamide
CID 62142744
2-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-5-sulfonamide
CID 79312411
4-bromo-3-fluoro-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 103697508
4-[methyl(2-methylpropyl)sulfamoyl]benzoic acid
CID 43271840

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-(2-methylpropyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-amino-N-methyl-N-(2-methylpropyl)pyrimidine-5-sulfonamide (CID 62143970) is 2-amino-N-methyl-N-(2-methylpropyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-amino-N-methyl-N-(2-methylpropyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-amino-N-methyl-N-(2-methylpropyl)pyrimidine-5-sulfonamide is CC(C)CN(C)S(=O)(=O)c1cnc(N)nc1.
What is the InChIKey of 2-amino-N-methyl-N-(2-methylpropyl)pyrimidine-5-sulfonamide?
The InChIKey is CAPAORYDVGOQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-7(2)6-13(3)16(14,15)8-4-11-9(10)12-5-8/h4-5,7H,6H2,1-3H3,(H2,10,11,12).
What are the key properties of 2-amino-N-methyl-N-(2-methylpropyl)pyrimidine-5-sulfonamide?
2-amino-N-methyl-N-(2-methylpropyl)pyrimidine-5-sulfonamide has a molecular weight of 244.32 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-(2-methylpropyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 62143970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).