4-chloro-6-(3,5-dimethylpiperidin-1-yl)-2-ethyl-5-methylpyrimidine

C14H22ClN3 — CID 79237782

IUPAC4-chloro-6-(3,5-dimethylpiperidin-1-yl)-2-ethyl-5-methylpyrimidine
SMILESCCc1nc(Cl)c(C)c(N2CC(C)CC(C)C2)n1
InChIInChI=1S/C14H22ClN3/c1-5-12-16-13(15)11(4)14(17-12)18-7-9(2)6-10(3)8-18/h9-10H,5-8H2,1-4H3
InChIKeyTVIRCSZRTFRWJN-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.48
Rot. Bonds2

About 4-chloro-6-(3,5-dimethylpiperidin-1-yl)-2-ethyl-5-methylpyrimidine

4-chloro-6-(3,5-dimethylpiperidin-1-yl)-2-ethyl-5-methylpyrimidine (PubChem CID 79237782) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is 4-chloro-6-(3,5-dimethylpiperidin-1-yl)-2-ethyl-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3,5-dimethylpiperidin-1-yl)-2-ethyl-5-methylpyrimidine
PubChem CID79237782
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC Name4-chloro-6-(3,5-dimethylpiperidin-1-yl)-2-ethyl-5-methylpyrimidine
SMILESCCc1nc(Cl)c(C)c(N2CC(C)CC(C)C2)n1
InChIInChI=1S/C14H22ClN3/c1-5-12-16-13(15)11(4)14(17-12)18-7-9(2)6-10(3)8-18/h9-10H,5-8H2,1-4H3
InChIKeyTVIRCSZRTFRWJN-UHFFFAOYSA-N
XLogP3.48
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,5-dimethylpiperidin-1-yl)-2-ethyl-5-methylpyrimidine?
The IUPAC name of 4-chloro-6-(3,5-dimethylpiperidin-1-yl)-2-ethyl-5-methylpyrimidine (CID 79237782) is 4-chloro-6-(3,5-dimethylpiperidin-1-yl)-2-ethyl-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3,5-dimethylpiperidin-1-yl)-2-ethyl-5-methylpyrimidine?
The canonical SMILES for 4-chloro-6-(3,5-dimethylpiperidin-1-yl)-2-ethyl-5-methylpyrimidine is CCc1nc(Cl)c(C)c(N2CC(C)CC(C)C2)n1.
What is the InChIKey of 4-chloro-6-(3,5-dimethylpiperidin-1-yl)-2-ethyl-5-methylpyrimidine?
The InChIKey is TVIRCSZRTFRWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-5-12-16-13(15)11(4)14(17-12)18-7-9(2)6-10(3)8-18/h9-10H,5-8H2,1-4H3.
What are the key properties of 4-chloro-6-(3,5-dimethylpiperidin-1-yl)-2-ethyl-5-methylpyrimidine?
4-chloro-6-(3,5-dimethylpiperidin-1-yl)-2-ethyl-5-methylpyrimidine has a molecular weight of 267.80 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,5-dimethylpiperidin-1-yl)-2-ethyl-5-methylpyrimidine is sourced from PubChem (CID 79237782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).