4-(2-hydroxyethoxy)-5-(3-methoxyphenoxy)-6-[(5-methyl-2-pyridinyl)sulfonylamino]pyrimidine-2-carboxylic acid

C20H20N4O8S — CID 70140873

IUPAC4-(2-hydroxyethoxy)-5-(3-methoxyphenoxy)-6-[(5-methyl-2-pyridinyl)sulfonylamino]pyrimidine-2-carboxylic acid
SMILESCOc1cccc(Oc2c(NS(=O)(=O)c3ccc(C)cn3)nc(C(=O)O)nc2OCCO)c1
InChIInChI=1S/C20H20N4O8S/c1-12-6-7-15(21-11-12)33(28,29)24-17-16(32-14-5-3-4-13(10-14)30-2)19(31-9-8-25)23-18(22-17)20(26)27/h3-7,10-11,25H,8-9H2,1-2H3,(H,26,27)(H,22,23,24)
InChIKeyCNXJQTJTYVXMFX-UHFFFAOYSA-N
MW476.47 g/mol
LogP1.85
Rot. Bonds10

About 4-(2-hydroxyethoxy)-5-(3-methoxyphenoxy)-6-[(5-methyl-2-pyridinyl)sulfonylamino]pyrimidine-2-carboxylic acid

4-(2-hydroxyethoxy)-5-(3-methoxyphenoxy)-6-[(5-methyl-2-pyridinyl)sulfonylamino]pyrimidine-2-carboxylic acid (PubChem CID 70140873) has the molecular formula C20H20N4O8S and a molecular weight of 476.47 g/mol. Its IUPAC name is 4-(2-hydroxyethoxy)-5-(3-methoxyphenoxy)-6-[(5-methyl-2-pyridinyl)sulfonylamino]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-hydroxyethoxy)-5-(3-methoxyphenoxy)-6-[(5-methyl-2-pyridinyl)sulfonylamino]pyrimidine-2-carboxylic acid
PubChem CID70140873
Molecular FormulaC20H20N4O8S
Molecular Weight476.47 g/mol
Exact Mass476.10
IUPAC Name4-(2-hydroxyethoxy)-5-(3-methoxyphenoxy)-6-[(5-methyl-2-pyridinyl)sulfonylamino]pyrimidine-2-carboxylic acid
SMILESCOc1cccc(Oc2c(NS(=O)(=O)c3ccc(C)cn3)nc(C(=O)O)nc2OCCO)c1
InChIInChI=1S/C20H20N4O8S/c1-12-6-7-15(21-11-12)33(28,29)24-17-16(32-14-5-3-4-13(10-14)30-2)19(31-9-8-25)23-18(22-17)20(26)27/h3-7,10-11,25H,8-9H2,1-2H3,(H,26,27)(H,22,23,24)
InChIKeyCNXJQTJTYVXMFX-UHFFFAOYSA-N
XLogP1.85
TPSA170.06 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.47
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 4-(2-hydroxyethoxy)-5-(3-methoxyphenoxy)-6-[(5-methyl-2-pyridinyl)sulfonylamino]pyrimidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethoxy)-5-(3-methoxyphenoxy)-6-[(5-methyl-2-pyridinyl)sulfonylamino]pyrimidine-2-carboxylic acid?
The IUPAC name of 4-(2-hydroxyethoxy)-5-(3-methoxyphenoxy)-6-[(5-methyl-2-pyridinyl)sulfonylamino]pyrimidine-2-carboxylic acid (CID 70140873) is 4-(2-hydroxyethoxy)-5-(3-methoxyphenoxy)-6-[(5-methyl-2-pyridinyl)sulfonylamino]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 4-(2-hydroxyethoxy)-5-(3-methoxyphenoxy)-6-[(5-methyl-2-pyridinyl)sulfonylamino]pyrimidine-2-carboxylic acid?
The canonical SMILES for 4-(2-hydroxyethoxy)-5-(3-methoxyphenoxy)-6-[(5-methyl-2-pyridinyl)sulfonylamino]pyrimidine-2-carboxylic acid is COc1cccc(Oc2c(NS(=O)(=O)c3ccc(C)cn3)nc(C(=O)O)nc2OCCO)c1.
What is the InChIKey of 4-(2-hydroxyethoxy)-5-(3-methoxyphenoxy)-6-[(5-methyl-2-pyridinyl)sulfonylamino]pyrimidine-2-carboxylic acid?
The InChIKey is CNXJQTJTYVXMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O8S/c1-12-6-7-15(21-11-12)33(28,29)24-17-16(32-14-5-3-4-13(10-14)30-2)19(31-9-8-25)23-18(22-17)20(26)27/h3-7,10-11,25H,8-9H2,1-2H3,(H,26,27)(H,22,23,24).
What are the key properties of 4-(2-hydroxyethoxy)-5-(3-methoxyphenoxy)-6-[(5-methyl-2-pyridinyl)sulfonylamino]pyrimidine-2-carboxylic acid?
4-(2-hydroxyethoxy)-5-(3-methoxyphenoxy)-6-[(5-methyl-2-pyridinyl)sulfonylamino]pyrimidine-2-carboxylic acid has a molecular weight of 476.47 g/mol, XLogP of 1.85, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethoxy)-5-(3-methoxyphenoxy)-6-[(5-methyl-2-pyridinyl)sulfonylamino]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 70140873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).