4-chloro-6-(4-ethoxypiperidin-1-yl)-5-propylpyrimidine

C14H22ClN3O — CID 63729272

IUPAC4-chloro-6-(4-ethoxypiperidin-1-yl)-5-propylpyrimidine
SMILESCCCc1c(Cl)ncnc1N1CCC(OCC)CC1
InChIInChI=1S/C14H22ClN3O/c1-3-5-12-13(15)16-10-17-14(12)18-8-6-11(7-9-18)19-4-2/h10-11H,3-9H2,1-2H3
InChIKeyHYQKDECAHBUWLQ-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.09
Rot. Bonds5

About 4-chloro-6-(4-ethoxypiperidin-1-yl)-5-propylpyrimidine

4-chloro-6-(4-ethoxypiperidin-1-yl)-5-propylpyrimidine (PubChem CID 63729272) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 4-chloro-6-(4-ethoxypiperidin-1-yl)-5-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(4-ethoxypiperidin-1-yl)-5-propylpyrimidine
PubChem CID63729272
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name4-chloro-6-(4-ethoxypiperidin-1-yl)-5-propylpyrimidine
SMILESCCCc1c(Cl)ncnc1N1CCC(OCC)CC1
InChIInChI=1S/C14H22ClN3O/c1-3-5-12-13(15)16-10-17-14(12)18-8-6-11(7-9-18)19-4-2/h10-11H,3-9H2,1-2H3
InChIKeyHYQKDECAHBUWLQ-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-6-(4-ethoxypiperidin-1-yl)-5-propylpyrimidine?
The IUPAC name of 4-chloro-6-(4-ethoxypiperidin-1-yl)-5-propylpyrimidine (CID 63729272) is 4-chloro-6-(4-ethoxypiperidin-1-yl)-5-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-(4-ethoxypiperidin-1-yl)-5-propylpyrimidine?
The canonical SMILES for 4-chloro-6-(4-ethoxypiperidin-1-yl)-5-propylpyrimidine is CCCc1c(Cl)ncnc1N1CCC(OCC)CC1.
What is the InChIKey of 4-chloro-6-(4-ethoxypiperidin-1-yl)-5-propylpyrimidine?
The InChIKey is HYQKDECAHBUWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-3-5-12-13(15)16-10-17-14(12)18-8-6-11(7-9-18)19-4-2/h10-11H,3-9H2,1-2H3.
What are the key properties of 4-chloro-6-(4-ethoxypiperidin-1-yl)-5-propylpyrimidine?
4-chloro-6-(4-ethoxypiperidin-1-yl)-5-propylpyrimidine 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-6-(4-ethoxypiperidin-1-yl)-5-propylpyrimidine is sourced from PubChem (CID 63729272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).