N-[5-butyl-4-(1,5-dimethyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]methanesulfonamide

C16H22N4O3S — CID 118021992

IUPACN-[5-butyl-4-(1,5-dimethyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]methanesulfonamide
SMILESCCCCc1cnc(NS(C)(=O)=O)nc1-c1cc(C)c(=O)n(C)c1
InChIInChI=1S/C16H22N4O3S/c1-5-6-7-12-9-17-16(19-24(4,22)23)18-14(12)13-8-11(2)15(21)20(3)10-13/h8-10H,5-7H2,1-4H3,(H,17,18,19)
InChIKeyXWDCXVQMONIRLU-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.86
Rot. Bonds6

About N-[5-butyl-4-(1,5-dimethyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]methanesulfonamide

N-[5-butyl-4-(1,5-dimethyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]methanesulfonamide (PubChem CID 118021992) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[5-butyl-4-(1,5-dimethyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-butyl-4-(1,5-dimethyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]methanesulfonamide
PubChem CID118021992
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC NameN-[5-butyl-4-(1,5-dimethyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]methanesulfonamide
SMILESCCCCc1cnc(NS(C)(=O)=O)nc1-c1cc(C)c(=O)n(C)c1
InChIInChI=1S/C16H22N4O3S/c1-5-6-7-12-9-17-16(19-24(4,22)23)18-14(12)13-8-11(2)15(21)20(3)10-13/h8-10H,5-7H2,1-4H3,(H,17,18,19)
InChIKeyXWDCXVQMONIRLU-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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Frequently Asked Questions

What is the IUPAC name of N-[5-butyl-4-(1,5-dimethyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]methanesulfonamide?
The IUPAC name of N-[5-butyl-4-(1,5-dimethyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]methanesulfonamide (CID 118021992) is N-[5-butyl-4-(1,5-dimethyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]methanesulfonamide.
What is the SMILES notation for N-[5-butyl-4-(1,5-dimethyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]methanesulfonamide?
The canonical SMILES for N-[5-butyl-4-(1,5-dimethyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]methanesulfonamide is CCCCc1cnc(NS(C)(=O)=O)nc1-c1cc(C)c(=O)n(C)c1.
What is the InChIKey of N-[5-butyl-4-(1,5-dimethyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]methanesulfonamide?
The InChIKey is XWDCXVQMONIRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-5-6-7-12-9-17-16(19-24(4,22)23)18-14(12)13-8-11(2)15(21)20(3)10-13/h8-10H,5-7H2,1-4H3,(H,17,18,19).
What are the key properties of N-[5-butyl-4-(1,5-dimethyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]methanesulfonamide?
N-[5-butyl-4-(1,5-dimethyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]methanesulfonamide 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-[5-butyl-4-(1,5-dimethyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]methanesulfonamide is sourced from PubChem (CID 118021992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).