2-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyrimidine-5-sulfonamide

C14H18N4O2S — CID 62157966

IUPAC2-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)NC(C)c2ccccc2C)cn1
InChIInChI=1S/C14H18N4O2S/c1-10-6-4-5-7-13(10)11(2)18-21(19,20)12-8-16-14(15-3)17-9-12/h4-9,11,18H,1-3H3,(H,15,16,17)
InChIKeyHHHMQAFDEYVIKP-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.87
Rot. Bonds5

About 2-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyrimidine-5-sulfonamide

2-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyrimidine-5-sulfonamide (PubChem CID 62157966) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyrimidine-5-sulfonamide
PubChem CID62157966
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name2-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)NC(C)c2ccccc2C)cn1
InChIInChI=1S/C14H18N4O2S/c1-10-6-4-5-7-13(10)11(2)18-21(19,20)12-8-16-14(15-3)17-9-12/h4-9,11,18H,1-3H3,(H,15,16,17)
InChIKeyHHHMQAFDEYVIKP-UHFFFAOYSA-N
XLogP1.87
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]pyridine-3-sulfonamide
CID 114613294
5,6-dichloro-N-[1-(2-methylphenyl)ethyl]pyridine-3-sulfonamide
CID 64607227
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62158246
4-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 26944548
3-amino-5-methyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 61106187
4-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 8762877
2-amino-N-[1-(2-fluorophenyl)ethyl]pyrimidine-5-sulfonamide
CID 62156754
2-hydrazinyl-N-(1-phenylethyl)pyrimidine-5-sulfonamide
CID 61328714
3,4-dimethoxy-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 51169554
4-amino-3-fluoro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 82845464
3-acetyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 51169549
3-cyano-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 42999070

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyrimidine-5-sulfonamide?
The IUPAC name of 2-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyrimidine-5-sulfonamide (CID 62157966) is 2-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyrimidine-5-sulfonamide?
The canonical SMILES for 2-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyrimidine-5-sulfonamide is CNc1ncc(S(=O)(=O)NC(C)c2ccccc2C)cn1.
What is the InChIKey of 2-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyrimidine-5-sulfonamide?
The InChIKey is HHHMQAFDEYVIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-10-6-4-5-7-13(10)11(2)18-21(19,20)12-8-16-14(15-3)17-9-12/h4-9,11,18H,1-3H3,(H,15,16,17).
What are the key properties of 2-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyrimidine-5-sulfonamide?
2-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyrimidine-5-sulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyrimidine-5-sulfonamide is sourced from PubChem (CID 62157966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).