N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]methanesulfonamide

C18H19N5O6S — CID 71458717

IUPACN-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]methanesulfonamide
SMILESCOc1ccccc1Oc1c(NS(C)(=O)=O)nc(-c2ncccn2)nc1OCCO
InChIInChI=1S/C18H19N5O6S/c1-27-12-6-3-4-7-13(12)29-14-15(23-30(2,25)26)21-17(16-19-8-5-9-20-16)22-18(14)28-11-10-24/h3-9,24H,10-11H2,1-2H3,(H,21,22,23)
InChIKeyKKURJWQDVAUNQC-UHFFFAOYSA-N
MW433.45 g/mol
LogP1.48
Rot. Bonds9

About N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]methanesulfonamide

N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]methanesulfonamide (PubChem CID 71458717) has the molecular formula C18H19N5O6S and a molecular weight of 433.45 g/mol. Its IUPAC name is N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]methanesulfonamide
PubChem CID71458717
Molecular FormulaC18H19N5O6S
Molecular Weight433.45 g/mol
Exact Mass433.11
IUPAC NameN-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]methanesulfonamide
SMILESCOc1ccccc1Oc1c(NS(C)(=O)=O)nc(-c2ncccn2)nc1OCCO
InChIInChI=1S/C18H19N5O6S/c1-27-12-6-3-4-7-13(12)29-14-15(23-30(2,25)26)21-17(16-19-8-5-9-20-16)22-18(14)28-11-10-24/h3-9,24H,10-11H2,1-2H3,(H,21,22,23)
InChIKeyKKURJWQDVAUNQC-UHFFFAOYSA-N
XLogP1.48
TPSA145.65 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.45
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]methanesulfonamide?
The IUPAC name of N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]methanesulfonamide (CID 71458717) is N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]methanesulfonamide is COc1ccccc1Oc1c(NS(C)(=O)=O)nc(-c2ncccn2)nc1OCCO.
What is the InChIKey of N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]methanesulfonamide?
The InChIKey is KKURJWQDVAUNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O6S/c1-27-12-6-3-4-7-13(12)29-14-15(23-30(2,25)26)21-17(16-19-8-5-9-20-16)22-18(14)28-11-10-24/h3-9,24H,10-11H2,1-2H3,(H,21,22,23).
What are the key properties of N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]methanesulfonamide?
N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]methanesulfonamide has a molecular weight of 433.45 g/mol, XLogP of 1.48, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]methanesulfonamide is sourced from PubChem (CID 71458717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).