5-N-(5-methoxy-6-piperidin-4-yloxypyrimidin-4-yl)-2-N-(2-methylsulfonylethyl)pyridine-2,5-diamine

C18H26N6O4S — CID 69294283

IUPAC5-N-(5-methoxy-6-piperidin-4-yloxypyrimidin-4-yl)-2-N-(2-methylsulfonylethyl)pyridine-2,5-diamine
SMILESCOc1c(Nc2ccc(NCCS(C)(=O)=O)nc2)ncnc1OC1CCNCC1
InChIInChI=1S/C18H26N6O4S/c1-27-16-17(22-12-23-18(16)28-14-5-7-19-8-6-14)24-13-3-4-15(21-11-13)20-9-10-29(2,25)26/h3-4,11-12,14,19H,5-10H2,1-2H3,(H,20,21)(H,22,23,24)
InChIKeyKJEKBHFJXBWSEA-UHFFFAOYSA-N
MW422.51 g/mol
LogP1.21
Rot. Bonds9

About 5-N-(5-methoxy-6-piperidin-4-yloxypyrimidin-4-yl)-2-N-(2-methylsulfonylethyl)pyridine-2,5-diamine

5-N-(5-methoxy-6-piperidin-4-yloxypyrimidin-4-yl)-2-N-(2-methylsulfonylethyl)pyridine-2,5-diamine (PubChem CID 69294283) has the molecular formula C18H26N6O4S and a molecular weight of 422.51 g/mol. Its IUPAC name is 5-N-(5-methoxy-6-piperidin-4-yloxypyrimidin-4-yl)-2-N-(2-methylsulfonylethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-(5-methoxy-6-piperidin-4-yloxypyrimidin-4-yl)-2-N-(2-methylsulfonylethyl)pyridine-2,5-diamine
PubChem CID69294283
Molecular FormulaC18H26N6O4S
Molecular Weight422.51 g/mol
Exact Mass422.17
IUPAC Name5-N-(5-methoxy-6-piperidin-4-yloxypyrimidin-4-yl)-2-N-(2-methylsulfonylethyl)pyridine-2,5-diamine
SMILESCOc1c(Nc2ccc(NCCS(C)(=O)=O)nc2)ncnc1OC1CCNCC1
InChIInChI=1S/C18H26N6O4S/c1-27-16-17(22-12-23-18(16)28-14-5-7-19-8-6-14)24-13-3-4-15(21-11-13)20-9-10-29(2,25)26/h3-4,11-12,14,19H,5-10H2,1-2H3,(H,20,21)(H,22,23,24)
InChIKeyKJEKBHFJXBWSEA-UHFFFAOYSA-N
XLogP1.21
TPSA127.36 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-N-(5-methoxy-6-piperidin-4-yloxypyrimidin-4-yl)-2-N-(2-methylsulfonylethyl)pyridine-2,5-diamine?
The IUPAC name of 5-N-(5-methoxy-6-piperidin-4-yloxypyrimidin-4-yl)-2-N-(2-methylsulfonylethyl)pyridine-2,5-diamine (CID 69294283) is 5-N-(5-methoxy-6-piperidin-4-yloxypyrimidin-4-yl)-2-N-(2-methylsulfonylethyl)pyridine-2,5-diamine.
What is the SMILES notation for 5-N-(5-methoxy-6-piperidin-4-yloxypyrimidin-4-yl)-2-N-(2-methylsulfonylethyl)pyridine-2,5-diamine?
The canonical SMILES for 5-N-(5-methoxy-6-piperidin-4-yloxypyrimidin-4-yl)-2-N-(2-methylsulfonylethyl)pyridine-2,5-diamine is COc1c(Nc2ccc(NCCS(C)(=O)=O)nc2)ncnc1OC1CCNCC1.
What is the InChIKey of 5-N-(5-methoxy-6-piperidin-4-yloxypyrimidin-4-yl)-2-N-(2-methylsulfonylethyl)pyridine-2,5-diamine?
The InChIKey is KJEKBHFJXBWSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O4S/c1-27-16-17(22-12-23-18(16)28-14-5-7-19-8-6-14)24-13-3-4-15(21-11-13)20-9-10-29(2,25)26/h3-4,11-12,14,19H,5-10H2,1-2H3,(H,20,21)(H,22,23,24).
What are the key properties of 5-N-(5-methoxy-6-piperidin-4-yloxypyrimidin-4-yl)-2-N-(2-methylsulfonylethyl)pyridine-2,5-diamine?
5-N-(5-methoxy-6-piperidin-4-yloxypyrimidin-4-yl)-2-N-(2-methylsulfonylethyl)pyridine-2,5-diamine has a molecular weight of 422.51 g/mol, XLogP of 1.21, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(5-methoxy-6-piperidin-4-yloxypyrimidin-4-yl)-2-N-(2-methylsulfonylethyl)pyridine-2,5-diamine is sourced from PubChem (CID 69294283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).