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

C15H24ClN3 — CID 80971909

IUPAC4-chloro-6-(2,4-dimethylpiperidin-1-yl)-5-methyl-2-propylpyrimidine
SMILESCCCc1nc(Cl)c(C)c(N2CCC(C)CC2C)n1
InChIInChI=1S/C15H24ClN3/c1-5-6-13-17-14(16)12(4)15(18-13)19-8-7-10(2)9-11(19)3/h10-11H,5-9H2,1-4H3
InChIKeyZLZHUXTUQNLSSI-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.02
Rot. Bonds3

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

4-chloro-6-(2,4-dimethylpiperidin-1-yl)-5-methyl-2-propylpyrimidine (PubChem CID 80971909) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 4-chloro-6-(2,4-dimethylpiperidin-1-yl)-5-methyl-2-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2,4-dimethylpiperidin-1-yl)-5-methyl-2-propylpyrimidine
PubChem CID80971909
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name4-chloro-6-(2,4-dimethylpiperidin-1-yl)-5-methyl-2-propylpyrimidine
SMILESCCCc1nc(Cl)c(C)c(N2CCC(C)CC2C)n1
InChIInChI=1S/C15H24ClN3/c1-5-6-13-17-14(16)12(4)15(18-13)19-8-7-10(2)9-11(19)3/h10-11H,5-9H2,1-4H3
InChIKeyZLZHUXTUQNLSSI-UHFFFAOYSA-N
XLogP4.02
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.02
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)-5-methyl-2-propylpyrimidine?
The IUPAC name of 4-chloro-6-(2,4-dimethylpiperidin-1-yl)-5-methyl-2-propylpyrimidine (CID 80971909) is 4-chloro-6-(2,4-dimethylpiperidin-1-yl)-5-methyl-2-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2,4-dimethylpiperidin-1-yl)-5-methyl-2-propylpyrimidine?
The canonical SMILES for 4-chloro-6-(2,4-dimethylpiperidin-1-yl)-5-methyl-2-propylpyrimidine is CCCc1nc(Cl)c(C)c(N2CCC(C)CC2C)n1.
What is the InChIKey of 4-chloro-6-(2,4-dimethylpiperidin-1-yl)-5-methyl-2-propylpyrimidine?
The InChIKey is ZLZHUXTUQNLSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-5-6-13-17-14(16)12(4)15(18-13)19-8-7-10(2)9-11(19)3/h10-11H,5-9H2,1-4H3.
What are the key properties of 4-chloro-6-(2,4-dimethylpiperidin-1-yl)-5-methyl-2-propylpyrimidine?
4-chloro-6-(2,4-dimethylpiperidin-1-yl)-5-methyl-2-propylpyrimidine has a molecular weight of 281.83 g/mol, XLogP of 4.02, 3 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)-5-methyl-2-propylpyrimidine is sourced from PubChem (CID 80971909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).