2-(ethylamino)-N-methyl-N-pyridin-4-ylpyrimidine-5-sulfonamide

C12H15N5O2S — CID 106936969

IUPAC2-(ethylamino)-N-methyl-N-pyridin-4-ylpyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)N(C)c2ccncc2)cn1
InChIInChI=1S/C12H15N5O2S/c1-3-14-12-15-8-11(9-16-12)20(18,19)17(2)10-4-6-13-7-5-10/h4-9H,3H2,1-2H3,(H,14,15,16)
InChIKeyQXDUGRVFYHUQPI-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.13
Rot. Bonds5

About 2-(ethylamino)-N-methyl-N-pyridin-4-ylpyrimidine-5-sulfonamide

2-(ethylamino)-N-methyl-N-pyridin-4-ylpyrimidine-5-sulfonamide (PubChem CID 106936969) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-(ethylamino)-N-methyl-N-pyridin-4-ylpyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-methyl-N-pyridin-4-ylpyrimidine-5-sulfonamide
PubChem CID106936969
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC Name2-(ethylamino)-N-methyl-N-pyridin-4-ylpyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)N(C)c2ccncc2)cn1
InChIInChI=1S/C12H15N5O2S/c1-3-14-12-15-8-11(9-16-12)20(18,19)17(2)10-4-6-13-7-5-10/h4-9H,3H2,1-2H3,(H,14,15,16)
InChIKeyQXDUGRVFYHUQPI-UHFFFAOYSA-N
XLogP1.13
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-(propylamino)-N-pyridin-4-ylpyrimidine-5-sulfonamide
CID 106937024
2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyrimidine-5-sulfonamide
CID 62157505
2-(ethylamino)-N-(2-methylpropyl)-N-propan-2-ylpyrimidine-5-sulfonamide
CID 62153122
N-methyl-2-(methylamino)-N-phenylpyrimidine-5-sulfonamide
CID 62148831
N-cyclohexyl-2-(ethylamino)-N-methylpyrimidine-5-sulfonamide
CID 62148862
N-methyl-4-(methylaminomethyl)-N-pyridin-4-ylbenzenesulfonamide
CID 106936304
N,N-bis(cyanomethyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62163524
5-chloro-6-hydrazinyl-N-methyl-N-pyridin-4-ylpyridine-3-sulfonamide
CID 106936239
4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934928
5-chloro-6-(ethylamino)-N-methyl-N-phenylpyridine-3-sulfonamide
CID 64606805
2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-sulfonamide
CID 62157688
2-(ethylamino)-N-pentyl-N-propan-2-ylpyrimidine-5-sulfonamide
CID 62157057

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-methyl-N-pyridin-4-ylpyrimidine-5-sulfonamide?
The IUPAC name of 2-(ethylamino)-N-methyl-N-pyridin-4-ylpyrimidine-5-sulfonamide (CID 106936969) is 2-(ethylamino)-N-methyl-N-pyridin-4-ylpyrimidine-5-sulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-methyl-N-pyridin-4-ylpyrimidine-5-sulfonamide?
The canonical SMILES for 2-(ethylamino)-N-methyl-N-pyridin-4-ylpyrimidine-5-sulfonamide is CCNc1ncc(S(=O)(=O)N(C)c2ccncc2)cn1.
What is the InChIKey of 2-(ethylamino)-N-methyl-N-pyridin-4-ylpyrimidine-5-sulfonamide?
The InChIKey is QXDUGRVFYHUQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-3-14-12-15-8-11(9-16-12)20(18,19)17(2)10-4-6-13-7-5-10/h4-9H,3H2,1-2H3,(H,14,15,16).
What are the key properties of 2-(ethylamino)-N-methyl-N-pyridin-4-ylpyrimidine-5-sulfonamide?
2-(ethylamino)-N-methyl-N-pyridin-4-ylpyrimidine-5-sulfonamide has a molecular weight of 293.35 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-methyl-N-pyridin-4-ylpyrimidine-5-sulfonamide is sourced from PubChem (CID 106936969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).