4-chloro-2-[(3,5-dimethylpiperidin-1-yl)methyl]-6-methylpyrimidine

C13H20ClN3 — CID 80664820

IUPAC4-chloro-2-[(3,5-dimethylpiperidin-1-yl)methyl]-6-methylpyrimidine
SMILESCc1cc(Cl)nc(CN2CC(C)CC(C)C2)n1
InChIInChI=1S/C13H20ClN3/c1-9-4-10(2)7-17(6-9)8-13-15-11(3)5-12(14)16-13/h5,9-10H,4,6-8H2,1-3H3
InChIKeyLBSRLIUWUWZNEO-UHFFFAOYSA-N
MW253.78 g/mol
LogP2.92
Rot. Bonds2

About 4-chloro-2-[(3,5-dimethylpiperidin-1-yl)methyl]-6-methylpyrimidine

4-chloro-2-[(3,5-dimethylpiperidin-1-yl)methyl]-6-methylpyrimidine (PubChem CID 80664820) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 4-chloro-2-[(3,5-dimethylpiperidin-1-yl)methyl]-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-[(3,5-dimethylpiperidin-1-yl)methyl]-6-methylpyrimidine
PubChem CID80664820
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name4-chloro-2-[(3,5-dimethylpiperidin-1-yl)methyl]-6-methylpyrimidine
SMILESCc1cc(Cl)nc(CN2CC(C)CC(C)C2)n1
InChIInChI=1S/C13H20ClN3/c1-9-4-10(2)7-17(6-9)8-13-15-11(3)5-12(14)16-13/h5,9-10H,4,6-8H2,1-3H3
InChIKeyLBSRLIUWUWZNEO-UHFFFAOYSA-N
XLogP2.92
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(3,5-dimethylpiperidin-1-yl)methyl]-6-methylpyrimidine?
The IUPAC name of 4-chloro-2-[(3,5-dimethylpiperidin-1-yl)methyl]-6-methylpyrimidine (CID 80664820) is 4-chloro-2-[(3,5-dimethylpiperidin-1-yl)methyl]-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-[(3,5-dimethylpiperidin-1-yl)methyl]-6-methylpyrimidine?
The canonical SMILES for 4-chloro-2-[(3,5-dimethylpiperidin-1-yl)methyl]-6-methylpyrimidine is Cc1cc(Cl)nc(CN2CC(C)CC(C)C2)n1.
What is the InChIKey of 4-chloro-2-[(3,5-dimethylpiperidin-1-yl)methyl]-6-methylpyrimidine?
The InChIKey is LBSRLIUWUWZNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-9-4-10(2)7-17(6-9)8-13-15-11(3)5-12(14)16-13/h5,9-10H,4,6-8H2,1-3H3.
What are the key properties of 4-chloro-2-[(3,5-dimethylpiperidin-1-yl)methyl]-6-methylpyrimidine?
4-chloro-2-[(3,5-dimethylpiperidin-1-yl)methyl]-6-methylpyrimidine has a molecular weight of 253.78 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(3,5-dimethylpiperidin-1-yl)methyl]-6-methylpyrimidine is sourced from PubChem (CID 80664820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).