4-tert-butyl-5-chloro-6-[1-(5-chloro-6-ethylpyrimidin-4-yl)ethyl]pyrimidine

C16H20Cl2N4 — CID 59637035

IUPAC4-tert-butyl-5-chloro-6-[1-(5-chloro-6-ethylpyrimidin-4-yl)ethyl]pyrimidine
SMILESCCc1ncnc(C(C)c2ncnc(C(C)(C)C)c2Cl)c1Cl
InChIInChI=1S/C16H20Cl2N4/c1-6-10-11(17)13(20-7-19-10)9(2)14-12(18)15(16(3,4)5)22-8-21-14/h7-9H,6H2,1-5H3
InChIKeyQHUZZDBABBNTDY-UHFFFAOYSA-N
MW339.27 g/mol
LogP4.59
Rot. Bonds3

About 4-tert-butyl-5-chloro-6-[1-(5-chloro-6-ethylpyrimidin-4-yl)ethyl]pyrimidine

4-tert-butyl-5-chloro-6-[1-(5-chloro-6-ethylpyrimidin-4-yl)ethyl]pyrimidine (PubChem CID 59637035) has the molecular formula C16H20Cl2N4 and a molecular weight of 339.27 g/mol. Its IUPAC name is 4-tert-butyl-5-chloro-6-[1-(5-chloro-6-ethylpyrimidin-4-yl)ethyl]pyrimidine.

Molecular Properties

Compound Name4-tert-butyl-5-chloro-6-[1-(5-chloro-6-ethylpyrimidin-4-yl)ethyl]pyrimidine
PubChem CID59637035
Molecular FormulaC16H20Cl2N4
Molecular Weight339.27 g/mol
Exact Mass338.11
IUPAC Name4-tert-butyl-5-chloro-6-[1-(5-chloro-6-ethylpyrimidin-4-yl)ethyl]pyrimidine
SMILESCCc1ncnc(C(C)c2ncnc(C(C)(C)C)c2Cl)c1Cl
InChIInChI=1S/C16H20Cl2N4/c1-6-10-11(17)13(20-7-19-10)9(2)14-12(18)15(16(3,4)5)22-8-21-14/h7-9H,6H2,1-5H3
InChIKeyQHUZZDBABBNTDY-UHFFFAOYSA-N
XLogP4.59
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-chloro-6-[1-(5-chloro-6-ethylpyrimidin-4-yl)ethyl]pyrimidine?
The IUPAC name of 4-tert-butyl-5-chloro-6-[1-(5-chloro-6-ethylpyrimidin-4-yl)ethyl]pyrimidine (CID 59637035) is 4-tert-butyl-5-chloro-6-[1-(5-chloro-6-ethylpyrimidin-4-yl)ethyl]pyrimidine.
What is the SMILES notation for 4-tert-butyl-5-chloro-6-[1-(5-chloro-6-ethylpyrimidin-4-yl)ethyl]pyrimidine?
The canonical SMILES for 4-tert-butyl-5-chloro-6-[1-(5-chloro-6-ethylpyrimidin-4-yl)ethyl]pyrimidine is CCc1ncnc(C(C)c2ncnc(C(C)(C)C)c2Cl)c1Cl.
What is the InChIKey of 4-tert-butyl-5-chloro-6-[1-(5-chloro-6-ethylpyrimidin-4-yl)ethyl]pyrimidine?
The InChIKey is QHUZZDBABBNTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N4/c1-6-10-11(17)13(20-7-19-10)9(2)14-12(18)15(16(3,4)5)22-8-21-14/h7-9H,6H2,1-5H3.
What are the key properties of 4-tert-butyl-5-chloro-6-[1-(5-chloro-6-ethylpyrimidin-4-yl)ethyl]pyrimidine?
4-tert-butyl-5-chloro-6-[1-(5-chloro-6-ethylpyrimidin-4-yl)ethyl]pyrimidine has a molecular weight of 339.27 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-chloro-6-[1-(5-chloro-6-ethylpyrimidin-4-yl)ethyl]pyrimidine is sourced from PubChem (CID 59637035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).