N-[4-(1-methyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide

C15H20N4O3S — CID 118022226

IUPACN-[4-(1-methyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide
SMILESCCCc1cnc(NS(=O)(=O)CC)nc1-c1ccc(=O)n(C)c1
InChIInChI=1S/C15H20N4O3S/c1-4-6-11-9-16-15(18-23(21,22)5-2)17-14(11)12-7-8-13(20)19(3)10-12/h7-10H,4-6H2,1-3H3,(H,16,17,18)
InChIKeyDILHIEWTHGIJER-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.56
Rot. Bonds6

About N-[4-(1-methyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide

N-[4-(1-methyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide (PubChem CID 118022226) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-[4-(1-methyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(1-methyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide
PubChem CID118022226
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC NameN-[4-(1-methyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide
SMILESCCCc1cnc(NS(=O)(=O)CC)nc1-c1ccc(=O)n(C)c1
InChIInChI=1S/C15H20N4O3S/c1-4-6-11-9-16-15(18-23(21,22)5-2)17-14(11)12-7-8-13(20)19(3)10-12/h7-10H,4-6H2,1-3H3,(H,16,17,18)
InChIKeyDILHIEWTHGIJER-UHFFFAOYSA-N
XLogP1.56
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-Amino-4-methyl-pyrimidin-5-ylmethyl)-2-(6-methyl-2-oxo-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-acetamide
CID 10204622
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
3-Fluoro-5-[5-fluoro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-methylpyridin-2-one
CID 171483364
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-Butan-2-yl-5-[2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]-3-fluoropyridin-2-one
CID 171483378
3-Fluoro-5-[5-fluoro-2-[(1-propylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
CID 171483381
1-Butan-2-yl-5-[2-[(1-ethylsulfonylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]-3-fluoropyridin-2-one
CID 171483383
5-[5-Fluoro-2-[[1-(2-methoxyethylsulfonyl)piperidin-4-yl]amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
CID 171483386

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide?
The IUPAC name of N-[4-(1-methyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide (CID 118022226) is N-[4-(1-methyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide.
What is the SMILES notation for N-[4-(1-methyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide?
The canonical SMILES for N-[4-(1-methyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide is CCCc1cnc(NS(=O)(=O)CC)nc1-c1ccc(=O)n(C)c1.
What is the InChIKey of N-[4-(1-methyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide?
The InChIKey is DILHIEWTHGIJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-4-6-11-9-16-15(18-23(21,22)5-2)17-14(11)12-7-8-13(20)19(3)10-12/h7-10H,4-6H2,1-3H3,(H,16,17,18).
What are the key properties of N-[4-(1-methyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide?
N-[4-(1-methyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide has a molecular weight of 336.42 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide is sourced from PubChem (CID 118022226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).