2-(4-tert-butylphenyl)-5-chloropyrimidine

C14H15ClN2 — CID 90450772

IUPAC2-(4-tert-butylphenyl)-5-chloropyrimidine
SMILESCC(C)(C)c1ccc(-c2ncc(Cl)cn2)cc1
InChIInChI=1S/C14H15ClN2/c1-14(2,3)11-6-4-10(5-7-11)13-16-8-12(15)9-17-13/h4-9H,1-3H3
InChIKeyXVGAGIFNSIGSRB-UHFFFAOYSA-N
MW246.74 g/mol
LogP4.09
Rot. Bonds1

About 2-(4-tert-butylphenyl)-5-chloropyrimidine

2-(4-tert-butylphenyl)-5-chloropyrimidine (PubChem CID 90450772) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-5-chloropyrimidine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-5-chloropyrimidine
PubChem CID90450772
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name2-(4-tert-butylphenyl)-5-chloropyrimidine
SMILESCC(C)(C)c1ccc(-c2ncc(Cl)cn2)cc1
InChIInChI=1S/C14H15ClN2/c1-14(2,3)11-6-4-10(5-7-11)13-16-8-12(15)9-17-13/h4-9H,1-3H3
InChIKeyXVGAGIFNSIGSRB-UHFFFAOYSA-N
XLogP4.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-5-chloropyrimidine?
The IUPAC name of 2-(4-tert-butylphenyl)-5-chloropyrimidine (CID 90450772) is 2-(4-tert-butylphenyl)-5-chloropyrimidine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-5-chloropyrimidine?
The canonical SMILES for 2-(4-tert-butylphenyl)-5-chloropyrimidine is CC(C)(C)c1ccc(-c2ncc(Cl)cn2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-5-chloropyrimidine?
The InChIKey is XVGAGIFNSIGSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c1-14(2,3)11-6-4-10(5-7-11)13-16-8-12(15)9-17-13/h4-9H,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-5-chloropyrimidine?
2-(4-tert-butylphenyl)-5-chloropyrimidine has a molecular weight of 246.74 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-5-chloropyrimidine is sourced from PubChem (CID 90450772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).