2-tert-butyl-4-chloro-6-(1-ethylimidazol-2-yl)pyrimidine

C13H17ClN4 — CID 80952304

IUPAC2-tert-butyl-4-chloro-6-(1-ethylimidazol-2-yl)pyrimidine
SMILESCCn1ccnc1-c1cc(Cl)nc(C(C)(C)C)n1
InChIInChI=1S/C13H17ClN4/c1-5-18-7-6-15-11(18)9-8-10(14)17-12(16-9)13(2,3)4/h6-8H,5H2,1-4H3
InChIKeyVDXCEOVPEINRNL-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.31
Rot. Bonds2

About 2-tert-butyl-4-chloro-6-(1-ethylimidazol-2-yl)pyrimidine

2-tert-butyl-4-chloro-6-(1-ethylimidazol-2-yl)pyrimidine (PubChem CID 80952304) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-6-(1-ethylimidazol-2-yl)pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-6-(1-ethylimidazol-2-yl)pyrimidine
PubChem CID80952304
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name2-tert-butyl-4-chloro-6-(1-ethylimidazol-2-yl)pyrimidine
SMILESCCn1ccnc1-c1cc(Cl)nc(C(C)(C)C)n1
InChIInChI=1S/C13H17ClN4/c1-5-18-7-6-15-11(18)9-8-10(14)17-12(16-9)13(2,3)4/h6-8H,5H2,1-4H3
InChIKeyVDXCEOVPEINRNL-UHFFFAOYSA-N
XLogP3.31
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-6-(1-ethylimidazol-2-yl)pyrimidine?
The IUPAC name of 2-tert-butyl-4-chloro-6-(1-ethylimidazol-2-yl)pyrimidine (CID 80952304) is 2-tert-butyl-4-chloro-6-(1-ethylimidazol-2-yl)pyrimidine.
What is the SMILES notation for 2-tert-butyl-4-chloro-6-(1-ethylimidazol-2-yl)pyrimidine?
The canonical SMILES for 2-tert-butyl-4-chloro-6-(1-ethylimidazol-2-yl)pyrimidine is CCn1ccnc1-c1cc(Cl)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-chloro-6-(1-ethylimidazol-2-yl)pyrimidine?
The InChIKey is VDXCEOVPEINRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-5-18-7-6-15-11(18)9-8-10(14)17-12(16-9)13(2,3)4/h6-8H,5H2,1-4H3.
What are the key properties of 2-tert-butyl-4-chloro-6-(1-ethylimidazol-2-yl)pyrimidine?
2-tert-butyl-4-chloro-6-(1-ethylimidazol-2-yl)pyrimidine has a molecular weight of 264.76 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-6-(1-ethylimidazol-2-yl)pyrimidine is sourced from PubChem (CID 80952304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).