4-chloro-2-ethyl-6-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine

C13H20ClN3O — CID 107394107

IUPAC4-chloro-2-ethyl-6-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine
SMILESCCc1nc(Cl)cc(N2CCCC(C)(OC)C2)n1
InChIInChI=1S/C13H20ClN3O/c1-4-11-15-10(14)8-12(16-11)17-7-5-6-13(2,9-17)18-3/h8H,4-7,9H2,1-3H3
InChIKeyKKXZAZCSARFMNF-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.70
Rot. Bonds3

About 4-chloro-2-ethyl-6-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine

4-chloro-2-ethyl-6-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine (PubChem CID 107394107) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 4-chloro-2-ethyl-6-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-ethyl-6-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine
PubChem CID107394107
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name4-chloro-2-ethyl-6-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine
SMILESCCc1nc(Cl)cc(N2CCCC(C)(OC)C2)n1
InChIInChI=1S/C13H20ClN3O/c1-4-11-15-10(14)8-12(16-11)17-7-5-6-13(2,9-17)18-3/h8H,4-7,9H2,1-3H3
InChIKeyKKXZAZCSARFMNF-UHFFFAOYSA-N
XLogP2.70
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-6-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine?
The IUPAC name of 4-chloro-2-ethyl-6-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine (CID 107394107) is 4-chloro-2-ethyl-6-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 4-chloro-2-ethyl-6-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 4-chloro-2-ethyl-6-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine is CCc1nc(Cl)cc(N2CCCC(C)(OC)C2)n1.
What is the InChIKey of 4-chloro-2-ethyl-6-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine?
The InChIKey is KKXZAZCSARFMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-4-11-15-10(14)8-12(16-11)17-7-5-6-13(2,9-17)18-3/h8H,4-7,9H2,1-3H3.
What are the key properties of 4-chloro-2-ethyl-6-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine?
4-chloro-2-ethyl-6-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine has a molecular weight of 269.78 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-6-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 107394107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).