2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyrimidine-5-sulfonamide

C9H12N6O2S — CID 64518721

IUPAC2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyrimidine-5-sulfonamide
SMILESCN(Cc1ncc[nH]1)S(=O)(=O)c1cnc(N)nc1
InChIInChI=1S/C9H12N6O2S/c1-15(6-8-11-2-3-12-8)18(16,17)7-4-13-9(10)14-5-7/h2-5H,6H2,1H3,(H,11,12)(H2,10,13,14)
InChIKeyPIAOUYHIFSWQDQ-UHFFFAOYSA-N
MW268.30 g/mol
LogP-0.40
Rot. Bonds4

About 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyrimidine-5-sulfonamide

2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyrimidine-5-sulfonamide (PubChem CID 64518721) has the molecular formula C9H12N6O2S and a molecular weight of 268.30 g/mol. Its IUPAC name is 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyrimidine-5-sulfonamide
PubChem CID64518721
Molecular FormulaC9H12N6O2S
Molecular Weight268.30 g/mol
Exact Mass268.07
IUPAC Name2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyrimidine-5-sulfonamide
SMILESCN(Cc1ncc[nH]1)S(=O)(=O)c1cnc(N)nc1
InChIInChI=1S/C9H12N6O2S/c1-15(6-8-11-2-3-12-8)18(16,17)7-4-13-9(10)14-5-7/h2-5H,6H2,1H3,(H,11,12)(H2,10,13,14)
InChIKeyPIAOUYHIFSWQDQ-UHFFFAOYSA-N
XLogP-0.40
TPSA117.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(1H-imidazol-2-ylmethyl)-N,5-dimethylbenzenesulfonamide
CID 64512154
3-amino-4-bromo-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 115329450
3-amino-4-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 64512733
6-cyano-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide
CID 114613874
5-chloro-6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide
CID 64608776
4-(1-aminoethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 64516922
2-amino-N-methyl-N-(2-methylsulfonylethyl)pyrimidine-5-sulfonamide
CID 79864717
5-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-1,3,4-thiadiazole-2-sulfonamide
CID 113383240
4-acetyl-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 64519588
2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-sulfonamide
CID 64518479
4-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-3-nitrobenzenesulfonamide
CID 64519441
4-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N,3-dimethylbenzenesulfonamide
CID 106919444

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyrimidine-5-sulfonamide?
The IUPAC name of 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyrimidine-5-sulfonamide (CID 64518721) is 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyrimidine-5-sulfonamide.
What is the SMILES notation for 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyrimidine-5-sulfonamide?
The canonical SMILES for 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyrimidine-5-sulfonamide is CN(Cc1ncc[nH]1)S(=O)(=O)c1cnc(N)nc1.
What is the InChIKey of 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyrimidine-5-sulfonamide?
The InChIKey is PIAOUYHIFSWQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2S/c1-15(6-8-11-2-3-12-8)18(16,17)7-4-13-9(10)14-5-7/h2-5H,6H2,1H3,(H,11,12)(H2,10,13,14).
What are the key properties of 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyrimidine-5-sulfonamide?
2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyrimidine-5-sulfonamide has a molecular weight of 268.30 g/mol, XLogP of -0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyrimidine-5-sulfonamide is sourced from PubChem (CID 64518721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).