5-(6-ethoxynaphthalen-2-yl)-2-(piperidin-4-ylmethoxy)pyrimidine

C22H25N3O2 — CID 86583153

IUPAC5-(6-ethoxynaphthalen-2-yl)-2-(piperidin-4-ylmethoxy)pyrimidine
SMILESCCOc1ccc2cc(-c3cnc(OCC4CCNCC4)nc3)ccc2c1
InChIInChI=1S/C22H25N3O2/c1-2-26-21-6-5-17-11-18(3-4-19(17)12-21)20-13-24-22(25-14-20)27-15-16-7-9-23-10-8-16/h3-6,11-14,16,23H,2,7-10,15H2,1H3
InChIKeyGKBGCTMUMNEMPE-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.07
Rot. Bonds6

About 5-(6-ethoxynaphthalen-2-yl)-2-(piperidin-4-ylmethoxy)pyrimidine

5-(6-ethoxynaphthalen-2-yl)-2-(piperidin-4-ylmethoxy)pyrimidine (PubChem CID 86583153) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 5-(6-ethoxynaphthalen-2-yl)-2-(piperidin-4-ylmethoxy)pyrimidine.

Molecular Properties

Compound Name5-(6-ethoxynaphthalen-2-yl)-2-(piperidin-4-ylmethoxy)pyrimidine
PubChem CID86583153
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name5-(6-ethoxynaphthalen-2-yl)-2-(piperidin-4-ylmethoxy)pyrimidine
SMILESCCOc1ccc2cc(-c3cnc(OCC4CCNCC4)nc3)ccc2c1
InChIInChI=1S/C22H25N3O2/c1-2-26-21-6-5-17-11-18(3-4-19(17)12-21)20-13-24-22(25-14-20)27-15-16-7-9-23-10-8-16/h3-6,11-14,16,23H,2,7-10,15H2,1H3
InChIKeyGKBGCTMUMNEMPE-UHFFFAOYSA-N
XLogP4.07
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(6-ethoxynaphthalen-2-yl)-2-(piperidin-4-ylmethoxy)pyrimidine?
The IUPAC name of 5-(6-ethoxynaphthalen-2-yl)-2-(piperidin-4-ylmethoxy)pyrimidine (CID 86583153) is 5-(6-ethoxynaphthalen-2-yl)-2-(piperidin-4-ylmethoxy)pyrimidine.
What is the SMILES notation for 5-(6-ethoxynaphthalen-2-yl)-2-(piperidin-4-ylmethoxy)pyrimidine?
The canonical SMILES for 5-(6-ethoxynaphthalen-2-yl)-2-(piperidin-4-ylmethoxy)pyrimidine is CCOc1ccc2cc(-c3cnc(OCC4CCNCC4)nc3)ccc2c1.
What is the InChIKey of 5-(6-ethoxynaphthalen-2-yl)-2-(piperidin-4-ylmethoxy)pyrimidine?
The InChIKey is GKBGCTMUMNEMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-2-26-21-6-5-17-11-18(3-4-19(17)12-21)20-13-24-22(25-14-20)27-15-16-7-9-23-10-8-16/h3-6,11-14,16,23H,2,7-10,15H2,1H3.
What are the key properties of 5-(6-ethoxynaphthalen-2-yl)-2-(piperidin-4-ylmethoxy)pyrimidine?
5-(6-ethoxynaphthalen-2-yl)-2-(piperidin-4-ylmethoxy)pyrimidine has a molecular weight of 363.46 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-ethoxynaphthalen-2-yl)-2-(piperidin-4-ylmethoxy)pyrimidine is sourced from PubChem (CID 86583153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).