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

C12H18ClN3 — CID 80943255

IUPAC4-chloro-2-ethyl-6-(4-methylpiperidin-1-yl)pyrimidine
SMILESCCc1nc(Cl)cc(N2CCC(C)CC2)n1
InChIInChI=1S/C12H18ClN3/c1-3-11-14-10(13)8-12(15-11)16-6-4-9(2)5-7-16/h8-9H,3-7H2,1-2H3
InChIKeyROCHSMCLECUFEA-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.93
Rot. Bonds2

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

4-chloro-2-ethyl-6-(4-methylpiperidin-1-yl)pyrimidine (PubChem CID 80943255) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 4-chloro-2-ethyl-6-(4-methylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-ethyl-6-(4-methylpiperidin-1-yl)pyrimidine
PubChem CID80943255
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name4-chloro-2-ethyl-6-(4-methylpiperidin-1-yl)pyrimidine
SMILESCCc1nc(Cl)cc(N2CCC(C)CC2)n1
InChIInChI=1S/C12H18ClN3/c1-3-11-14-10(13)8-12(15-11)16-6-4-9(2)5-7-16/h8-9H,3-7H2,1-2H3
InChIKeyROCHSMCLECUFEA-UHFFFAOYSA-N
XLogP2.93
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-2-ethylpyrimidine
CID 80936019
1-(6-chloro-2-ethylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine
CID 80936809
3-(6-chloro-2-ethylpyrimidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 80936821
4-chloro-6-(4,4-diethylpiperidin-1-yl)-2-ethylpyrimidine
CID 80936627
(2S,6R)-4-(6-chloro-2-ethylpyrimidin-4-yl)-2,6-dimethylmorpholine
CID 104959793
1-(6-chloro-2-ethylpyrimidin-4-yl)azetidin-3-ol
CID 131048087
3-(6-chloro-2-ethylpyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine
CID 80936724
4-chloro-2-(4-methylpiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 166460131
4-chloro-2-(ethoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 103501007
4,6-dichloro-2-(4-methylpiperidin-1-yl)pyrimidine
CID 25474747
[1-(6-chloro-2-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 80936341
N,2-diethyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80933054

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-6-(4-methylpiperidin-1-yl)pyrimidine?
The IUPAC name of 4-chloro-2-ethyl-6-(4-methylpiperidin-1-yl)pyrimidine (CID 80943255) is 4-chloro-2-ethyl-6-(4-methylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 4-chloro-2-ethyl-6-(4-methylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 4-chloro-2-ethyl-6-(4-methylpiperidin-1-yl)pyrimidine is CCc1nc(Cl)cc(N2CCC(C)CC2)n1.
What is the InChIKey of 4-chloro-2-ethyl-6-(4-methylpiperidin-1-yl)pyrimidine?
The InChIKey is ROCHSMCLECUFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-3-11-14-10(13)8-12(15-11)16-6-4-9(2)5-7-16/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-chloro-2-ethyl-6-(4-methylpiperidin-1-yl)pyrimidine?
4-chloro-2-ethyl-6-(4-methylpiperidin-1-yl)pyrimidine has a molecular weight of 239.75 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-6-(4-methylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 80943255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).