4-chloro-2-ethyl-5-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidine

C14H23ClN4 — CID 80972513

IUPAC4-chloro-2-ethyl-5-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidine
SMILESCCc1nc(Cl)c(C)c(N2CCN(C)C(C)(C)C2)n1
InChIInChI=1S/C14H23ClN4/c1-6-11-16-12(15)10(2)13(17-11)19-8-7-18(5)14(3,4)9-19/h6-9H2,1-5H3
InChIKeyMCHDBLSLUBZNLQ-UHFFFAOYSA-N
MW282.82 g/mol
LogP2.53
Rot. Bonds2

About 4-chloro-2-ethyl-5-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidine

4-chloro-2-ethyl-5-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidine (PubChem CID 80972513) has the molecular formula C14H23ClN4 and a molecular weight of 282.82 g/mol. Its IUPAC name is 4-chloro-2-ethyl-5-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-ethyl-5-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidine
PubChem CID80972513
Molecular FormulaC14H23ClN4
Molecular Weight282.82 g/mol
Exact Mass282.16
IUPAC Name4-chloro-2-ethyl-5-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidine
SMILESCCc1nc(Cl)c(C)c(N2CCN(C)C(C)(C)C2)n1
InChIInChI=1S/C14H23ClN4/c1-6-11-16-12(15)10(2)13(17-11)19-8-7-18(5)14(3,4)9-19/h6-9H2,1-5H3
InChIKeyMCHDBLSLUBZNLQ-UHFFFAOYSA-N
XLogP2.53
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-diethyl-5-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine
CID 80984912
2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-2-azaspiro[4.4]nonane
CID 113248905
4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperazine-2,6-dione
CID 80978472
4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide
CID 79237706
N-ethyl-2,5-dimethyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine
CID 80833885
3-ethyl-5-(3,3,4-trimethylpiperazin-1-yl)-1,2,4-thiadiazole
CID 126823483
4-chloro-6-(3,5-dimethylpiperidin-1-yl)-2-ethyl-5-methylpyrimidine
CID 79237782
3-chloro-4-(3,3,4-trimethylpiperazin-1-yl)-1,2,5-thiadiazole
CID 63614902
5-chloro-6-methyl-7-(3,3,4-trimethylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103076644
4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-1,4-thiazepane 1,1-dioxide
CID 103739604
2-[4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperazin-1-yl]-N-ethylacetamide
CID 71980313
1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperidine-4-carboxamide
CID 79238224

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-5-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-chloro-2-ethyl-5-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidine (CID 80972513) is 4-chloro-2-ethyl-5-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-chloro-2-ethyl-5-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-chloro-2-ethyl-5-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidine is CCc1nc(Cl)c(C)c(N2CCN(C)C(C)(C)C2)n1.
What is the InChIKey of 4-chloro-2-ethyl-5-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidine?
The InChIKey is MCHDBLSLUBZNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4/c1-6-11-16-12(15)10(2)13(17-11)19-8-7-18(5)14(3,4)9-19/h6-9H2,1-5H3.
What are the key properties of 4-chloro-2-ethyl-5-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidine?
4-chloro-2-ethyl-5-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidine has a molecular weight of 282.82 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-5-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 80972513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).