N,N-dibutyl-2-(methylamino)pyrimidine-5-sulfonamide

C13H24N4O2S — CID 62143915

IUPACN,N-dibutyl-2-(methylamino)pyrimidine-5-sulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)c1cnc(NC)nc1
InChIInChI=1S/C13H24N4O2S/c1-4-6-8-17(9-7-5-2)20(18,19)12-10-15-13(14-3)16-11-12/h10-11H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyCLDLYNBUASDALZ-UHFFFAOYSA-N
MW300.43 g/mol
LogP2.11
Rot. Bonds9

About N,N-dibutyl-2-(methylamino)pyrimidine-5-sulfonamide

N,N-dibutyl-2-(methylamino)pyrimidine-5-sulfonamide (PubChem CID 62143915) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N,N-dibutyl-2-(methylamino)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN,N-dibutyl-2-(methylamino)pyrimidine-5-sulfonamide
PubChem CID62143915
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN,N-dibutyl-2-(methylamino)pyrimidine-5-sulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)c1cnc(NC)nc1
InChIInChI=1S/C13H24N4O2S/c1-4-6-8-17(9-7-5-2)20(18,19)12-10-15-13(14-3)16-11-12/h10-11H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyCLDLYNBUASDALZ-UHFFFAOYSA-N
XLogP2.11
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-butyl-N-ethylpyrimidine-5-sulfonamide
CID 62149065
N,N-dipropyl-2-(propylamino)pyrimidine-5-sulfonamide
CID 62150752
N-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide
CID 62145454
N-ethyl-N-propyl-2-(propylamino)pyrimidine-5-sulfonamide
CID 55044432
N-(2-methoxyethyl)-2-(methylamino)-N-pentan-3-ylpyrimidine-5-sulfonamide
CID 62153472
2-(ethylamino)-N-pentyl-N-propan-2-ylpyrimidine-5-sulfonamide
CID 62157057
5-chloro-N-(2-hydroxyethyl)-6-(methylamino)-N-propylpyridine-3-sulfonamide
CID 64602257
N-benzyl-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide
CID 62150452
N-butyl-N-(2-hydroxyethyl)-1H-pyrazole-4-sulfonamide
CID 60958525
N-methyl-2-(methylamino)-N-phenylpyrimidine-5-sulfonamide
CID 62148831
N-butyl-N-(2-chloroethyl)-1H-pyrazole-4-sulfonamide
CID 63396636
N,N-dibutyl-2-chloro-1,3-thiazole-5-sulfonamide
CID 43455931

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-(methylamino)pyrimidine-5-sulfonamide?
The IUPAC name of N,N-dibutyl-2-(methylamino)pyrimidine-5-sulfonamide (CID 62143915) is N,N-dibutyl-2-(methylamino)pyrimidine-5-sulfonamide.
What is the SMILES notation for N,N-dibutyl-2-(methylamino)pyrimidine-5-sulfonamide?
The canonical SMILES for N,N-dibutyl-2-(methylamino)pyrimidine-5-sulfonamide is CCCCN(CCCC)S(=O)(=O)c1cnc(NC)nc1.
What is the InChIKey of N,N-dibutyl-2-(methylamino)pyrimidine-5-sulfonamide?
The InChIKey is CLDLYNBUASDALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-4-6-8-17(9-7-5-2)20(18,19)12-10-15-13(14-3)16-11-12/h10-11H,4-9H2,1-3H3,(H,14,15,16).
What are the key properties of N,N-dibutyl-2-(methylamino)pyrimidine-5-sulfonamide?
N,N-dibutyl-2-(methylamino)pyrimidine-5-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 2.11, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-(methylamino)pyrimidine-5-sulfonamide is sourced from PubChem (CID 62143915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).