N-(2,4-diethoxypyrimidin-5-yl)methanesulfonamide

C9H15N3O4S — CID 71807620

IUPACN-(2,4-diethoxypyrimidin-5-yl)methanesulfonamide
SMILESCCOc1ncc(NS(C)(=O)=O)c(OCC)n1
InChIInChI=1S/C9H15N3O4S/c1-4-15-8-7(12-17(3,13)14)6-10-9(11-8)16-5-2/h6,12H,4-5H2,1-3H3
InChIKeyMXAJREJCTXZTCP-UHFFFAOYSA-N
MW261.30 g/mol
LogP0.65
Rot. Bonds6

About N-(2,4-diethoxypyrimidin-5-yl)methanesulfonamide

N-(2,4-diethoxypyrimidin-5-yl)methanesulfonamide (PubChem CID 71807620) has the molecular formula C9H15N3O4S and a molecular weight of 261.30 g/mol. Its IUPAC name is N-(2,4-diethoxypyrimidin-5-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2,4-diethoxypyrimidin-5-yl)methanesulfonamide
PubChem CID71807620
Molecular FormulaC9H15N3O4S
Molecular Weight261.30 g/mol
Exact Mass261.08
IUPAC NameN-(2,4-diethoxypyrimidin-5-yl)methanesulfonamide
SMILESCCOc1ncc(NS(C)(=O)=O)c(OCC)n1
InChIInChI=1S/C9H15N3O4S/c1-4-15-8-7(12-17(3,13)14)6-10-9(11-8)16-5-2/h6,12H,4-5H2,1-3H3
InChIKeyMXAJREJCTXZTCP-UHFFFAOYSA-N
XLogP0.65
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-diethoxypyrimidin-5-yl)methanesulfonamide?
The IUPAC name of N-(2,4-diethoxypyrimidin-5-yl)methanesulfonamide (CID 71807620) is N-(2,4-diethoxypyrimidin-5-yl)methanesulfonamide.
What is the SMILES notation for N-(2,4-diethoxypyrimidin-5-yl)methanesulfonamide?
The canonical SMILES for N-(2,4-diethoxypyrimidin-5-yl)methanesulfonamide is CCOc1ncc(NS(C)(=O)=O)c(OCC)n1.
What is the InChIKey of N-(2,4-diethoxypyrimidin-5-yl)methanesulfonamide?
The InChIKey is MXAJREJCTXZTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4S/c1-4-15-8-7(12-17(3,13)14)6-10-9(11-8)16-5-2/h6,12H,4-5H2,1-3H3.
What are the key properties of N-(2,4-diethoxypyrimidin-5-yl)methanesulfonamide?
N-(2,4-diethoxypyrimidin-5-yl)methanesulfonamide has a molecular weight of 261.30 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diethoxypyrimidin-5-yl)methanesulfonamide is sourced from PubChem (CID 71807620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).