4-chloro-5-ethyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyrimidine

C13H21ClN4 — CID 63728895

IUPAC4-chloro-5-ethyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyrimidine
SMILESCCc1c(Cl)ncnc1N1CCN(CC)C(C)C1
InChIInChI=1S/C13H21ClN4/c1-4-11-12(14)15-9-16-13(11)18-7-6-17(5-2)10(3)8-18/h9-10H,4-8H2,1-3H3
InChIKeyHJQOPQVAWNSTMZ-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.22
Rot. Bonds3

About 4-chloro-5-ethyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyrimidine

4-chloro-5-ethyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyrimidine (PubChem CID 63728895) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 4-chloro-5-ethyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-ethyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyrimidine
PubChem CID63728895
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name4-chloro-5-ethyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyrimidine
SMILESCCc1c(Cl)ncnc1N1CCN(CC)C(C)C1
InChIInChI=1S/C13H21ClN4/c1-4-11-12(14)15-9-16-13(11)18-7-6-17(5-2)10(3)8-18/h9-10H,4-8H2,1-3H3
InChIKeyHJQOPQVAWNSTMZ-UHFFFAOYSA-N
XLogP2.22
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-chloro-5-ethyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyrimidine (CID 63728895) is 4-chloro-5-ethyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-chloro-5-ethyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-chloro-5-ethyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyrimidine is CCc1c(Cl)ncnc1N1CCN(CC)C(C)C1.
What is the InChIKey of 4-chloro-5-ethyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyrimidine?
The InChIKey is HJQOPQVAWNSTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-4-11-12(14)15-9-16-13(11)18-7-6-17(5-2)10(3)8-18/h9-10H,4-8H2,1-3H3.
What are the key properties of 4-chloro-5-ethyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyrimidine?
4-chloro-5-ethyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyrimidine has a molecular weight of 268.79 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 63728895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).