2-(ethylamino)-N-(4-methylphenyl)pyrimidine-5-sulfonamide

C13H16N4O2S — CID 62144386

IUPAC2-(ethylamino)-N-(4-methylphenyl)pyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)Nc2ccc(C)cc2)cn1
InChIInChI=1S/C13H16N4O2S/c1-3-14-13-15-8-12(9-16-13)20(18,19)17-11-6-4-10(2)5-7-11/h4-9,17H,3H2,1-2H3,(H,14,15,16)
InChIKeyBXNUYBOAICHYKY-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.02
Rot. Bonds5

About 2-(ethylamino)-N-(4-methylphenyl)pyrimidine-5-sulfonamide

2-(ethylamino)-N-(4-methylphenyl)pyrimidine-5-sulfonamide (PubChem CID 62144386) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-(ethylamino)-N-(4-methylphenyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(4-methylphenyl)pyrimidine-5-sulfonamide
PubChem CID62144386
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name2-(ethylamino)-N-(4-methylphenyl)pyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)Nc2ccc(C)cc2)cn1
InChIInChI=1S/C13H16N4O2S/c1-3-14-13-15-8-12(9-16-13)20(18,19)17-11-6-4-10(2)5-7-11/h4-9,17H,3H2,1-2H3,(H,14,15,16)
InChIKeyBXNUYBOAICHYKY-UHFFFAOYSA-N
XLogP2.02
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-2-(propylamino)pyrimidine-5-sulfonamide
CID 62144387
2-(ethylamino)-N-(5-methyl-2-pyridinyl)pyrimidine-5-sulfonamide
CID 62150826
2-hydrazinyl-N-(4-methylphenyl)pyrimidine-5-sulfonamide
CID 61329110
2-(ethylamino)-N-(2-fluoro-5-methylphenyl)pyrimidine-5-sulfonamide
CID 62143379
N-(3-chloro-4-fluorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62144758
N-(3-chlorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62144333
2-(ethylamino)-N-(1-methylpyrazol-4-yl)pyrimidine-5-sulfonamide
CID 62146781
2-(ethylamino)-N-pyridin-2-ylpyrimidine-5-sulfonamide
CID 62149006
2-(ethylamino)-N-(4-fluoro-2-iodophenyl)pyrimidine-5-sulfonamide
CID 79762345
N-(5-bromo-2-methylphenyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62146677
N-(2,5-dimethylpyrazol-3-yl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62142994
2-(ethylamino)-N-(1,2-oxazol-3-yl)pyrimidine-5-sulfonamide
CID 62902362

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(4-methylphenyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-(ethylamino)-N-(4-methylphenyl)pyrimidine-5-sulfonamide (CID 62144386) is 2-(ethylamino)-N-(4-methylphenyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-(4-methylphenyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-(ethylamino)-N-(4-methylphenyl)pyrimidine-5-sulfonamide is CCNc1ncc(S(=O)(=O)Nc2ccc(C)cc2)cn1.
What is the InChIKey of 2-(ethylamino)-N-(4-methylphenyl)pyrimidine-5-sulfonamide?
The InChIKey is BXNUYBOAICHYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-3-14-13-15-8-12(9-16-13)20(18,19)17-11-6-4-10(2)5-7-11/h4-9,17H,3H2,1-2H3,(H,14,15,16).
What are the key properties of 2-(ethylamino)-N-(4-methylphenyl)pyrimidine-5-sulfonamide?
2-(ethylamino)-N-(4-methylphenyl)pyrimidine-5-sulfonamide has a molecular weight of 292.36 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(4-methylphenyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 62144386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).