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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Related Compounds

4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperazine-2,6-dione
CID 80978472
2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82862885
4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide
CID 79237706
4-[[1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2,6-dimethylmorpholine
CID 133447912
4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-2-ethyl-1,4-oxazepane
CID 114217523
1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperidine-4-carboxamide
CID 79238224
2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-2-azaspiro[4.4]nonane
CID 113248905
4-chloro-2-ethyl-5-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidine
CID 80972513
4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-1,4-thiazepane 1,1-dioxide
CID 103739604
2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 80978874
2-ethyl-5-methyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine
CID 114541811
4-chloro-2-ethyl-6-fluoro-5-methylpyrimidine
CID 143740717

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).