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

C16H22N4O3S — CID 118022303

IUPACN-[4-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide
SMILESCCCc1cnc(NS(=O)(=O)CC)nc1-c1cc(C)c(=O)n(C)c1
InChIInChI=1S/C16H22N4O3S/c1-5-7-12-9-17-16(19-24(22,23)6-2)18-14(12)13-8-11(3)15(21)20(4)10-13/h8-10H,5-7H2,1-4H3,(H,17,18,19)
InChIKeyCXDYKYWPPBOKFM-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.86
Rot. Bonds6

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

N-[4-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide (PubChem CID 118022303) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[4-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide
PubChem CID118022303
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC NameN-[4-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide
SMILESCCCc1cnc(NS(=O)(=O)CC)nc1-c1cc(C)c(=O)n(C)c1
InChIInChI=1S/C16H22N4O3S/c1-5-7-12-9-17-16(19-24(22,23)6-2)18-14(12)13-8-11(3)15(21)20(4)10-13/h8-10H,5-7H2,1-4H3,(H,17,18,19)
InChIKeyCXDYKYWPPBOKFM-UHFFFAOYSA-N
XLogP1.86
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.86
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
US10941160, Example 296
CID 146596140
US10023592, Example 360
CID 118021536
US10023592, Example 359
CID 118021740
US10023592, Example 310
CID 118021796
US10023592, Example 307
CID 118021885
US10023592, Example 363
CID 118021992
US10023592, Example 358
CID 118022060
US10023592, Example 362
CID 118022066
US10023592, Example 357
CID 118022226
US10023592, Example 305
CID 118022238
US10023592, Example 361
CID 118022274

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide?
The IUPAC name of N-[4-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide (CID 118022303) is N-[4-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide.
What is the SMILES notation for N-[4-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide?
The canonical SMILES for N-[4-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide is CCCc1cnc(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-propylpyrimidin-2-yl]ethanesulfonamide?
The InChIKey is CXDYKYWPPBOKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-5-7-12-9-17-16(19-24(22,23)6-2)18-14(12)13-8-11(3)15(21)20(4)10-13/h8-10H,5-7H2,1-4H3,(H,17,18,19).
What are the key properties of N-[4-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide?
N-[4-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-propylpyrimidin-2-yl]ethanesulfonamide has a molecular weight of 350.44 g/mol, XLogP of 1.86, 6 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-propylpyrimidin-2-yl]ethanesulfonamide is sourced from PubChem (CID 118022303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).