4-chloro-6-(4,4-diethylpiperidin-1-yl)-2-ethylpyrimidine

C15H24ClN3 — CID 80936627

IUPAC4-chloro-6-(4,4-diethylpiperidin-1-yl)-2-ethylpyrimidine
SMILESCCc1nc(Cl)cc(N2CCC(CC)(CC)CC2)n1
InChIInChI=1S/C15H24ClN3/c1-4-13-17-12(16)11-14(18-13)19-9-7-15(5-2,6-3)8-10-19/h11H,4-10H2,1-3H3
InChIKeyUJQQDRKBWSFIGJ-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.10
Rot. Bonds4

About 4-chloro-6-(4,4-diethylpiperidin-1-yl)-2-ethylpyrimidine

4-chloro-6-(4,4-diethylpiperidin-1-yl)-2-ethylpyrimidine (PubChem CID 80936627) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 4-chloro-6-(4,4-diethylpiperidin-1-yl)-2-ethylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(4,4-diethylpiperidin-1-yl)-2-ethylpyrimidine
PubChem CID80936627
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name4-chloro-6-(4,4-diethylpiperidin-1-yl)-2-ethylpyrimidine
SMILESCCc1nc(Cl)cc(N2CCC(CC)(CC)CC2)n1
InChIInChI=1S/C15H24ClN3/c1-4-13-17-12(16)11-14(18-13)19-9-7-15(5-2,6-3)8-10-19/h11H,4-10H2,1-3H3
InChIKeyUJQQDRKBWSFIGJ-UHFFFAOYSA-N
XLogP4.10
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-ethyl-6-(4-methylpiperidin-1-yl)pyrimidine
CID 80943255
3-(6-chloro-2-ethylpyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine
CID 80936724
4-chloro-2-ethyl-6-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine
CID 107394107
4-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-2-ethylpyrimidine
CID 80936019
1-(6-chloro-2-ethylpyrimidin-4-yl)azetidin-3-ol
CID 131048087
3-(6-chloro-2-ethylpyrimidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 80936821
(2S,6R)-4-(6-chloro-2-ethylpyrimidin-4-yl)-2,6-dimethylmorpholine
CID 104959793
1-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-4-methylpiperidin-4-ol
CID 113401051
1-(6-chloro-2-ethylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine
CID 80936809
2-chloro-4-(4,4-diethylpiperidin-1-yl)pyrimidine
CID 63161724
1'-(6-chloro-2-ethylpyrimidin-4-yl)-6-phenylspiro[chromene-2,4'-piperidine]
CID 108773061
6-chloro-2-[4-(6-chloro-2-ethylpyrimidin-4-yl)piperazin-1-yl]-1,3-benzothiazole
CID 108777459

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4,4-diethylpiperidin-1-yl)-2-ethylpyrimidine?
The IUPAC name of 4-chloro-6-(4,4-diethylpiperidin-1-yl)-2-ethylpyrimidine (CID 80936627) is 4-chloro-6-(4,4-diethylpiperidin-1-yl)-2-ethylpyrimidine.
What is the SMILES notation for 4-chloro-6-(4,4-diethylpiperidin-1-yl)-2-ethylpyrimidine?
The canonical SMILES for 4-chloro-6-(4,4-diethylpiperidin-1-yl)-2-ethylpyrimidine is CCc1nc(Cl)cc(N2CCC(CC)(CC)CC2)n1.
What is the InChIKey of 4-chloro-6-(4,4-diethylpiperidin-1-yl)-2-ethylpyrimidine?
The InChIKey is UJQQDRKBWSFIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-4-13-17-12(16)11-14(18-13)19-9-7-15(5-2,6-3)8-10-19/h11H,4-10H2,1-3H3.
What are the key properties of 4-chloro-6-(4,4-diethylpiperidin-1-yl)-2-ethylpyrimidine?
4-chloro-6-(4,4-diethylpiperidin-1-yl)-2-ethylpyrimidine has a molecular weight of 281.83 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4,4-diethylpiperidin-1-yl)-2-ethylpyrimidine is sourced from PubChem (CID 80936627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).