2-tert-butyl-4-chloro-6-(4-ethyl-4-methylpiperidin-1-yl)-5-methylpyrimidine

C17H28ClN3 — CID 80971922

IUPAC2-tert-butyl-4-chloro-6-(4-ethyl-4-methylpiperidin-1-yl)-5-methylpyrimidine
SMILESCCC1(C)CCN(c2nc(C(C)(C)C)nc(Cl)c2C)CC1
InChIInChI=1S/C17H28ClN3/c1-7-17(6)8-10-21(11-9-17)14-12(2)13(18)19-15(20-14)16(3,4)5/h7-11H2,1-6H3
InChIKeyZWZQYTYDXKBAGK-UHFFFAOYSA-N
MW309.89 g/mol
LogP4.75
Rot. Bonds2

About 2-tert-butyl-4-chloro-6-(4-ethyl-4-methylpiperidin-1-yl)-5-methylpyrimidine

2-tert-butyl-4-chloro-6-(4-ethyl-4-methylpiperidin-1-yl)-5-methylpyrimidine (PubChem CID 80971922) has the molecular formula C17H28ClN3 and a molecular weight of 309.89 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-6-(4-ethyl-4-methylpiperidin-1-yl)-5-methylpyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-6-(4-ethyl-4-methylpiperidin-1-yl)-5-methylpyrimidine
PubChem CID80971922
Molecular FormulaC17H28ClN3
Molecular Weight309.89 g/mol
Exact Mass309.20
IUPAC Name2-tert-butyl-4-chloro-6-(4-ethyl-4-methylpiperidin-1-yl)-5-methylpyrimidine
SMILESCCC1(C)CCN(c2nc(C(C)(C)C)nc(Cl)c2C)CC1
InChIInChI=1S/C17H28ClN3/c1-7-17(6)8-10-21(11-9-17)14-12(2)13(18)19-15(20-14)16(3,4)5/h7-11H2,1-6H3
InChIKeyZWZQYTYDXKBAGK-UHFFFAOYSA-N
XLogP4.75
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.89
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-6-(4-ethyl-4-methylpiperidin-1-yl)-5-methylpyrimidine?
The IUPAC name of 2-tert-butyl-4-chloro-6-(4-ethyl-4-methylpiperidin-1-yl)-5-methylpyrimidine (CID 80971922) is 2-tert-butyl-4-chloro-6-(4-ethyl-4-methylpiperidin-1-yl)-5-methylpyrimidine.
What is the SMILES notation for 2-tert-butyl-4-chloro-6-(4-ethyl-4-methylpiperidin-1-yl)-5-methylpyrimidine?
The canonical SMILES for 2-tert-butyl-4-chloro-6-(4-ethyl-4-methylpiperidin-1-yl)-5-methylpyrimidine is CCC1(C)CCN(c2nc(C(C)(C)C)nc(Cl)c2C)CC1.
What is the InChIKey of 2-tert-butyl-4-chloro-6-(4-ethyl-4-methylpiperidin-1-yl)-5-methylpyrimidine?
The InChIKey is ZWZQYTYDXKBAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN3/c1-7-17(6)8-10-21(11-9-17)14-12(2)13(18)19-15(20-14)16(3,4)5/h7-11H2,1-6H3.
What are the key properties of 2-tert-butyl-4-chloro-6-(4-ethyl-4-methylpiperidin-1-yl)-5-methylpyrimidine?
2-tert-butyl-4-chloro-6-(4-ethyl-4-methylpiperidin-1-yl)-5-methylpyrimidine has a molecular weight of 309.89 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-6-(4-ethyl-4-methylpiperidin-1-yl)-5-methylpyrimidine is sourced from PubChem (CID 80971922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).