4-chloro-5-ethyl-6-(3-propoxypiperidin-1-yl)pyrimidine

C14H22ClN3O — CID 55229119

IUPAC4-chloro-5-ethyl-6-(3-propoxypiperidin-1-yl)pyrimidine
SMILESCCCOC1CCCN(c2ncnc(Cl)c2CC)C1
InChIInChI=1S/C14H22ClN3O/c1-3-8-19-11-6-5-7-18(9-11)14-12(4-2)13(15)16-10-17-14/h10-11H,3-9H2,1-2H3
InChIKeyHJOXJBOEABPACL-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.09
Rot. Bonds5

About 4-chloro-5-ethyl-6-(3-propoxypiperidin-1-yl)pyrimidine

4-chloro-5-ethyl-6-(3-propoxypiperidin-1-yl)pyrimidine (PubChem CID 55229119) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 4-chloro-5-ethyl-6-(3-propoxypiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-ethyl-6-(3-propoxypiperidin-1-yl)pyrimidine
PubChem CID55229119
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name4-chloro-5-ethyl-6-(3-propoxypiperidin-1-yl)pyrimidine
SMILESCCCOC1CCCN(c2ncnc(Cl)c2CC)C1
InChIInChI=1S/C14H22ClN3O/c1-3-8-19-11-6-5-7-18(9-11)14-12(4-2)13(15)16-10-17-14/h10-11H,3-9H2,1-2H3
InChIKeyHJOXJBOEABPACL-UHFFFAOYSA-N
XLogP3.09
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-6-(3-propoxypiperidin-1-yl)pyrimidine?
The IUPAC name of 4-chloro-5-ethyl-6-(3-propoxypiperidin-1-yl)pyrimidine (CID 55229119) is 4-chloro-5-ethyl-6-(3-propoxypiperidin-1-yl)pyrimidine.
What is the SMILES notation for 4-chloro-5-ethyl-6-(3-propoxypiperidin-1-yl)pyrimidine?
The canonical SMILES for 4-chloro-5-ethyl-6-(3-propoxypiperidin-1-yl)pyrimidine is CCCOC1CCCN(c2ncnc(Cl)c2CC)C1.
What is the InChIKey of 4-chloro-5-ethyl-6-(3-propoxypiperidin-1-yl)pyrimidine?
The InChIKey is HJOXJBOEABPACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-3-8-19-11-6-5-7-18(9-11)14-12(4-2)13(15)16-10-17-14/h10-11H,3-9H2,1-2H3.
What are the key properties of 4-chloro-5-ethyl-6-(3-propoxypiperidin-1-yl)pyrimidine?
4-chloro-5-ethyl-6-(3-propoxypiperidin-1-yl)pyrimidine has a molecular weight of 283.80 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-6-(3-propoxypiperidin-1-yl)pyrimidine is sourced from PubChem (CID 55229119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).