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

C8H10N6O2S — CID 64525554

IUPAC2-amino-N-(1H-imidazol-2-ylmethyl)pyrimidine-5-sulfonamide
SMILESNc1ncc(S(=O)(=O)NCc2ncc[nH]2)cn1
InChIInChI=1S/C8H10N6O2S/c9-8-12-3-6(4-13-8)17(15,16)14-5-7-10-1-2-11-7/h1-4,14H,5H2,(H,10,11)(H2,9,12,13)
InChIKeyIFLCUNHAVISEHW-UHFFFAOYSA-N
MW254.28 g/mol
LogP-0.74
Rot. Bonds4

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

2-amino-N-(1H-imidazol-2-ylmethyl)pyrimidine-5-sulfonamide (PubChem CID 64525554) has the molecular formula C8H10N6O2S and a molecular weight of 254.28 g/mol. Its IUPAC name is 2-amino-N-(1H-imidazol-2-ylmethyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(1H-imidazol-2-ylmethyl)pyrimidine-5-sulfonamide
PubChem CID64525554
Molecular FormulaC8H10N6O2S
Molecular Weight254.28 g/mol
Exact Mass254.06
IUPAC Name2-amino-N-(1H-imidazol-2-ylmethyl)pyrimidine-5-sulfonamide
SMILESNc1ncc(S(=O)(=O)NCc2ncc[nH]2)cn1
InChIInChI=1S/C8H10N6O2S/c9-8-12-3-6(4-13-8)17(15,16)14-5-7-10-1-2-11-7/h1-4,14H,5H2,(H,10,11)(H2,9,12,13)
InChIKeyIFLCUNHAVISEHW-UHFFFAOYSA-N
XLogP-0.74
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 64518015
6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide
CID 64531399
3-amino-N-(1H-imidazol-2-ylmethyl)-5-methylbenzenesulfonamide
CID 64519368
5,6-dichloro-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide
CID 64606709
3-amino-5-chloro-N-(1H-imidazol-2-ylmethyl)-4-methylbenzenesulfonamide
CID 64518020
3-bromo-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 64531330
4-acetyl-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 64529323
2-amino-N-ethylpyrimidine-5-sulfonamide
CID 62148318
2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyrimidine-5-sulfonamide
CID 64518721
2-amino-N-(2-methylsulfonylethyl)pyrimidine-5-sulfonamide
CID 62162959
N-(1H-imidazol-2-ylmethyl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide
CID 110725759
3-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-4-nitrobenzenesulfonamide
CID 82847849

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1H-imidazol-2-ylmethyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-amino-N-(1H-imidazol-2-ylmethyl)pyrimidine-5-sulfonamide (CID 64525554) is 2-amino-N-(1H-imidazol-2-ylmethyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-amino-N-(1H-imidazol-2-ylmethyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-amino-N-(1H-imidazol-2-ylmethyl)pyrimidine-5-sulfonamide is Nc1ncc(S(=O)(=O)NCc2ncc[nH]2)cn1.
What is the InChIKey of 2-amino-N-(1H-imidazol-2-ylmethyl)pyrimidine-5-sulfonamide?
The InChIKey is IFLCUNHAVISEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O2S/c9-8-12-3-6(4-13-8)17(15,16)14-5-7-10-1-2-11-7/h1-4,14H,5H2,(H,10,11)(H2,9,12,13).
What are the key properties of 2-amino-N-(1H-imidazol-2-ylmethyl)pyrimidine-5-sulfonamide?
2-amino-N-(1H-imidazol-2-ylmethyl)pyrimidine-5-sulfonamide has a molecular weight of 254.28 g/mol, XLogP of -0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1H-imidazol-2-ylmethyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 64525554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).