5-chloro-2,4-bis(3-ethoxypiperidin-1-yl)pyrimidine

C18H29ClN4O2 — CID 133344752

IUPAC5-chloro-2,4-bis(3-ethoxypiperidin-1-yl)pyrimidine
SMILESCCOC1CCCN(c2ncc(Cl)c(N3CCCC(OCC)C3)n2)C1
InChIInChI=1S/C18H29ClN4O2/c1-3-24-14-7-5-9-22(12-14)17-16(19)11-20-18(21-17)23-10-6-8-15(13-23)25-4-2/h11,14-15H,3-10,12-13H2,1-2H3
InChIKeyOQYKPHOHCKRGQE-UHFFFAOYSA-N
MW368.91 g/mol
LogP3.14
Rot. Bonds6

About 5-chloro-2,4-bis(3-ethoxypiperidin-1-yl)pyrimidine

5-chloro-2,4-bis(3-ethoxypiperidin-1-yl)pyrimidine (PubChem CID 133344752) has the molecular formula C18H29ClN4O2 and a molecular weight of 368.91 g/mol. Its IUPAC name is 5-chloro-2,4-bis(3-ethoxypiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-chloro-2,4-bis(3-ethoxypiperidin-1-yl)pyrimidine
PubChem CID133344752
Molecular FormulaC18H29ClN4O2
Molecular Weight368.91 g/mol
Exact Mass368.20
IUPAC Name5-chloro-2,4-bis(3-ethoxypiperidin-1-yl)pyrimidine
SMILESCCOC1CCCN(c2ncc(Cl)c(N3CCCC(OCC)C3)n2)C1
InChIInChI=1S/C18H29ClN4O2/c1-3-24-14-7-5-9-22(12-14)17-16(19)11-20-18(21-17)23-10-6-8-15(13-23)25-4-2/h11,14-15H,3-10,12-13H2,1-2H3
InChIKeyOQYKPHOHCKRGQE-UHFFFAOYSA-N
XLogP3.14
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,4-bis(3-ethoxypiperidin-1-yl)pyrimidine?
The IUPAC name of 5-chloro-2,4-bis(3-ethoxypiperidin-1-yl)pyrimidine (CID 133344752) is 5-chloro-2,4-bis(3-ethoxypiperidin-1-yl)pyrimidine.
What is the SMILES notation for 5-chloro-2,4-bis(3-ethoxypiperidin-1-yl)pyrimidine?
The canonical SMILES for 5-chloro-2,4-bis(3-ethoxypiperidin-1-yl)pyrimidine is CCOC1CCCN(c2ncc(Cl)c(N3CCCC(OCC)C3)n2)C1.
What is the InChIKey of 5-chloro-2,4-bis(3-ethoxypiperidin-1-yl)pyrimidine?
The InChIKey is OQYKPHOHCKRGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN4O2/c1-3-24-14-7-5-9-22(12-14)17-16(19)11-20-18(21-17)23-10-6-8-15(13-23)25-4-2/h11,14-15H,3-10,12-13H2,1-2H3.
What are the key properties of 5-chloro-2,4-bis(3-ethoxypiperidin-1-yl)pyrimidine?
5-chloro-2,4-bis(3-ethoxypiperidin-1-yl)pyrimidine has a molecular weight of 368.91 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,4-bis(3-ethoxypiperidin-1-yl)pyrimidine is sourced from PubChem (CID 133344752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).