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

C7H11IN4O2S — CID 106337621

IUPAC2-[(5-iodopyrimidin-4-yl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1ncncc1I
InChIInChI=1S/C7H11IN4O2S/c1-9-15(13,14)3-2-11-7-6(8)4-10-5-12-7/h4-5,9H,2-3H2,1H3,(H,10,11,12)
InChIKeyBHCZEVRUQMZUAV-UHFFFAOYSA-N
MW342.16 g/mol
LogP0.04
Rot. Bonds5

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

2-[(5-iodopyrimidin-4-yl)amino]-N-methylethanesulfonamide (PubChem CID 106337621) has the molecular formula C7H11IN4O2S and a molecular weight of 342.16 g/mol. Its IUPAC name is 2-[(5-iodopyrimidin-4-yl)amino]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[(5-iodopyrimidin-4-yl)amino]-N-methylethanesulfonamide
PubChem CID106337621
Molecular FormulaC7H11IN4O2S
Molecular Weight342.16 g/mol
Exact Mass341.96
IUPAC Name2-[(5-iodopyrimidin-4-yl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1ncncc1I
InChIInChI=1S/C7H11IN4O2S/c1-9-15(13,14)3-2-11-7-6(8)4-10-5-12-7/h4-5,9H,2-3H2,1H3,(H,10,11,12)
InChIKeyBHCZEVRUQMZUAV-UHFFFAOYSA-N
XLogP0.04
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.16
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-butyl-5-iodopyrimidin-4-amine
CID 65418648
2-[(5-fluoropyrimidin-2-yl)amino]-N-methylethanesulfonamide
CID 102675409
3-[(5-iodopyrimidin-4-yl)amino]propan-1-ol
CID 66340103
2-[(3,5-difluoro-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 106337617
2-[(5-amino-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 106333992
N-methyl-2-(pyrazin-2-ylamino)ethanesulfonamide
CID 106337907
4-N-(2-methylsulfonylethyl)pyrimidine-4,5-diamine
CID 79915723
2-[(3-chloropyrazin-2-yl)amino]-N-methylethanesulfonamide
CID 106341535
2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 106337679
N-methyl-2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanesulfonamide
CID 102675352
N-methyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)ethanesulfonamide
CID 102675424
3-[(5-iodopyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 106278251

Frequently Asked Questions

What is the IUPAC name of 2-[(5-iodopyrimidin-4-yl)amino]-N-methylethanesulfonamide?
The IUPAC name of 2-[(5-iodopyrimidin-4-yl)amino]-N-methylethanesulfonamide (CID 106337621) is 2-[(5-iodopyrimidin-4-yl)amino]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[(5-iodopyrimidin-4-yl)amino]-N-methylethanesulfonamide?
The canonical SMILES for 2-[(5-iodopyrimidin-4-yl)amino]-N-methylethanesulfonamide is CNS(=O)(=O)CCNc1ncncc1I.
What is the InChIKey of 2-[(5-iodopyrimidin-4-yl)amino]-N-methylethanesulfonamide?
The InChIKey is BHCZEVRUQMZUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11IN4O2S/c1-9-15(13,14)3-2-11-7-6(8)4-10-5-12-7/h4-5,9H,2-3H2,1H3,(H,10,11,12).
What are the key properties of 2-[(5-iodopyrimidin-4-yl)amino]-N-methylethanesulfonamide?
2-[(5-iodopyrimidin-4-yl)amino]-N-methylethanesulfonamide has a molecular weight of 342.16 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-iodopyrimidin-4-yl)amino]-N-methylethanesulfonamide is sourced from PubChem (CID 106337621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).