2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide

C11H19ClN4O2S — CID 106341566

IUPAC2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1nc(CC)nc(Cl)c1C
InChIInChI=1S/C11H19ClN4O2S/c1-4-9-15-10(12)8(3)11(16-9)13-6-7-19(17,18)14-5-2/h14H,4-7H2,1-3H3,(H,13,15,16)
InChIKeyCKPPFIYUWDAWED-UHFFFAOYSA-N
MW306.82 g/mol
LogP1.35
Rot. Bonds7

About 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide

2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide (PubChem CID 106341566) has the molecular formula C11H19ClN4O2S and a molecular weight of 306.82 g/mol. Its IUPAC name is 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide.

Molecular Properties

Compound Name2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
PubChem CID106341566
Molecular FormulaC11H19ClN4O2S
Molecular Weight306.82 g/mol
Exact Mass306.09
IUPAC Name2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1nc(CC)nc(Cl)c1C
InChIInChI=1S/C11H19ClN4O2S/c1-4-9-15-10(12)8(3)11(16-9)13-6-7-19(17,18)14-5-2/h14H,4-7H2,1-3H3,(H,13,15,16)
InChIKeyCKPPFIYUWDAWED-UHFFFAOYSA-N
XLogP1.35
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
CID 114175880
6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
CID 79557526
N-ethyl-2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]ethanesulfonamide
CID 106343430
2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-ethylethanesulfonamide
CID 106341596
6-chloro-5-methyl-N-(3-methylsulfonylpropyl)-2-propylpyrimidin-4-amine
CID 80972477
2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]-N-ethylethanesulfonamide
CID 106341600
N-[3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 106341464
6-chloro-2-ethyl-5-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104576944
6-chloro-2-ethyl-5-methyl-N-pent-4-ynylpyrimidin-4-amine
CID 103724872
6-chloro-2-ethyl-5-methyl-N-(3-methylsulfinylbutyl)pyrimidin-4-amine
CID 115715788
tert-butyl N-[2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]ethyl]carbamate
CID 115674145
6-chloro-2-ethyl-5-methyl-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine
CID 79557700

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide?
The IUPAC name of 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide (CID 106341566) is 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide.
What is the SMILES notation for 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide?
The canonical SMILES for 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide is CCNS(=O)(=O)CCNc1nc(CC)nc(Cl)c1C.
What is the InChIKey of 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide?
The InChIKey is CKPPFIYUWDAWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O2S/c1-4-9-15-10(12)8(3)11(16-9)13-6-7-19(17,18)14-5-2/h14H,4-7H2,1-3H3,(H,13,15,16).
What are the key properties of 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide?
2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide has a molecular weight of 306.82 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide is sourced from PubChem (CID 106341566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).