N-[4-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-ethylpyrimidin-2-yl]ethanesulfonamide

C15H20N4O3S — CID 118021885

IUPACN-[4-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-ethylpyrimidin-2-yl]ethanesulfonamide
SMILESCCc1cnc(NS(=O)(=O)CC)nc1-c1cc(C)c(=O)n(C)c1
InChIInChI=1S/C15H20N4O3S/c1-5-11-8-16-15(18-23(21,22)6-2)17-13(11)12-7-10(3)14(20)19(4)9-12/h7-9H,5-6H2,1-4H3,(H,16,17,18)
InChIKeyBCKFOFZYBKHHMM-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.47
Rot. Bonds5

About N-[4-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-ethylpyrimidin-2-yl]ethanesulfonamide

N-[4-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-ethylpyrimidin-2-yl]ethanesulfonamide (PubChem CID 118021885) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-[4-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-ethylpyrimidin-2-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-ethylpyrimidin-2-yl]ethanesulfonamide
PubChem CID118021885
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC NameN-[4-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-ethylpyrimidin-2-yl]ethanesulfonamide
SMILESCCc1cnc(NS(=O)(=O)CC)nc1-c1cc(C)c(=O)n(C)c1
InChIInChI=1S/C15H20N4O3S/c1-5-11-8-16-15(18-23(21,22)6-2)17-13(11)12-7-10(3)14(20)19(4)9-12/h7-9H,5-6H2,1-4H3,(H,16,17,18)
InChIKeyBCKFOFZYBKHHMM-UHFFFAOYSA-N
XLogP1.47
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[5-Fluoro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-3-methyl-1-propan-2-ylpyridin-2-one
CID 171483356
5-[5-Fluoro-2-[(1-propylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
CID 171483357
5-[5-Fluoro-2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
CID 171483359
1-Butan-2-yl-3-fluoro-5-[5-fluoro-2-[[1-(2-methoxyethylsulfonyl)piperidin-4-yl]amino]pyrimidin-4-yl]pyridin-2-one
CID 171483361
3-Fluoro-5-[5-fluoro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-(3-methylbut-2-enyl)pyridin-2-one
CID 171483362
3-Fluoro-5-[5-fluoro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-methylpyridin-2-one
CID 171483364
3-Fluoro-5-[5-fluoro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
CID 171483365
5-[5-Fluoro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
CID 171483366
5-[2-[(1-Cyclopropylsulfonylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]-3-fluoro-1-propan-2-ylpyridin-2-one
CID 171483368
5-[2-[(1-Ethylsulfonylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]-3-fluoro-1-propan-2-ylpyridin-2-one
CID 171483370
3-Fluoro-5-[5-fluoro-2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
CID 171483373
1-Butyl-3-fluoro-5-[5-fluoro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]pyridin-2-one
CID 171483376

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-ethylpyrimidin-2-yl]ethanesulfonamide?
The IUPAC name of N-[4-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-ethylpyrimidin-2-yl]ethanesulfonamide (CID 118021885) is N-[4-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-ethylpyrimidin-2-yl]ethanesulfonamide.
What is the SMILES notation for N-[4-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-ethylpyrimidin-2-yl]ethanesulfonamide?
The canonical SMILES for N-[4-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-ethylpyrimidin-2-yl]ethanesulfonamide is CCc1cnc(NS(=O)(=O)CC)nc1-c1cc(C)c(=O)n(C)c1.
What is the InChIKey of N-[4-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-ethylpyrimidin-2-yl]ethanesulfonamide?
The InChIKey is BCKFOFZYBKHHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-5-11-8-16-15(18-23(21,22)6-2)17-13(11)12-7-10(3)14(20)19(4)9-12/h7-9H,5-6H2,1-4H3,(H,16,17,18).
What are the key properties of N-[4-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-ethylpyrimidin-2-yl]ethanesulfonamide?
N-[4-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-ethylpyrimidin-2-yl]ethanesulfonamide has a molecular weight of 336.42 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-ethylpyrimidin-2-yl]ethanesulfonamide is sourced from PubChem (CID 118021885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).