4-chloro-6-(2,4-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidine

C13H20ClN3 — CID 63728015

IUPAC4-chloro-6-(2,4-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidine
SMILESCc1nc(Cl)c(C)c(N2CCC(C)CC2C)n1
InChIInChI=1S/C13H20ClN3/c1-8-5-6-17(9(2)7-8)13-10(3)12(14)15-11(4)16-13/h8-9H,5-7H2,1-4H3
InChIKeyHYBJDEPHKIHMQB-UHFFFAOYSA-N
MW253.78 g/mol
LogP3.37
Rot. Bonds1

About 4-chloro-6-(2,4-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidine

4-chloro-6-(2,4-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidine (PubChem CID 63728015) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 4-chloro-6-(2,4-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2,4-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidine
PubChem CID63728015
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name4-chloro-6-(2,4-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidine
SMILESCc1nc(Cl)c(C)c(N2CCC(C)CC2C)n1
InChIInChI=1S/C13H20ClN3/c1-8-5-6-17(9(2)7-8)13-10(3)12(14)15-11(4)16-13/h8-9H,5-7H2,1-4H3
InChIKeyHYBJDEPHKIHMQB-UHFFFAOYSA-N
XLogP3.37
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,4-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidine?
The IUPAC name of 4-chloro-6-(2,4-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidine (CID 63728015) is 4-chloro-6-(2,4-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2,4-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidine?
The canonical SMILES for 4-chloro-6-(2,4-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidine is Cc1nc(Cl)c(C)c(N2CCC(C)CC2C)n1.
What is the InChIKey of 4-chloro-6-(2,4-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidine?
The InChIKey is HYBJDEPHKIHMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-8-5-6-17(9(2)7-8)13-10(3)12(14)15-11(4)16-13/h8-9H,5-7H2,1-4H3.
What are the key properties of 4-chloro-6-(2,4-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidine?
4-chloro-6-(2,4-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidine has a molecular weight of 253.78 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,4-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidine is sourced from PubChem (CID 63728015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).