2,4,5-tritert-butyl-6-chloropyrimidine

C16H27ClN2 — CID 14642745

IUPAC2,4,5-tritert-butyl-6-chloropyrimidine
SMILESCC(C)(C)c1nc(Cl)c(C(C)(C)C)c(C(C)(C)C)n1
InChIInChI=1S/C16H27ClN2/c1-14(2,3)10-11(15(4,5)6)18-13(16(7,8)9)19-12(10)17/h1-9H3
InChIKeyOUIGMFMUPIDJAE-UHFFFAOYSA-N
MW282.86 g/mol
LogP5.02
Rot. Bonds

About 2,4,5-tritert-butyl-6-chloropyrimidine

2,4,5-tritert-butyl-6-chloropyrimidine (PubChem CID 14642745) has the molecular formula C16H27ClN2 and a molecular weight of 282.86 g/mol. Its IUPAC name is 2,4,5-tritert-butyl-6-chloropyrimidine.

Molecular Properties

Compound Name2,4,5-tritert-butyl-6-chloropyrimidine
PubChem CID14642745
Molecular FormulaC16H27ClN2
Molecular Weight282.86 g/mol
Exact Mass282.19
IUPAC Name2,4,5-tritert-butyl-6-chloropyrimidine
SMILESCC(C)(C)c1nc(Cl)c(C(C)(C)C)c(C(C)(C)C)n1
InChIInChI=1S/C16H27ClN2/c1-14(2,3)10-11(15(4,5)6)18-13(16(7,8)9)19-12(10)17/h1-9H3
InChIKeyOUIGMFMUPIDJAE-UHFFFAOYSA-N
XLogP5.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.86
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-tritert-butyl-6-chloropyrimidine?
The IUPAC name of 2,4,5-tritert-butyl-6-chloropyrimidine (CID 14642745) is 2,4,5-tritert-butyl-6-chloropyrimidine.
What is the SMILES notation for 2,4,5-tritert-butyl-6-chloropyrimidine?
The canonical SMILES for 2,4,5-tritert-butyl-6-chloropyrimidine is CC(C)(C)c1nc(Cl)c(C(C)(C)C)c(C(C)(C)C)n1.
What is the InChIKey of 2,4,5-tritert-butyl-6-chloropyrimidine?
The InChIKey is OUIGMFMUPIDJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2/c1-14(2,3)10-11(15(4,5)6)18-13(16(7,8)9)19-12(10)17/h1-9H3.
What are the key properties of 2,4,5-tritert-butyl-6-chloropyrimidine?
2,4,5-tritert-butyl-6-chloropyrimidine has a molecular weight of 282.86 g/mol, XLogP of 5.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-tritert-butyl-6-chloropyrimidine is sourced from PubChem (CID 14642745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).