4-tert-butyl-6-chloro-2-(2,4-dimethylphenyl)pyrimidine

C16H19ClN2 — CID 43557888

IUPAC4-tert-butyl-6-chloro-2-(2,4-dimethylphenyl)pyrimidine
SMILESCc1ccc(-c2nc(Cl)cc(C(C)(C)C)n2)c(C)c1
InChIInChI=1S/C16H19ClN2/c1-10-6-7-12(11(2)8-10)15-18-13(16(3,4)5)9-14(17)19-15/h6-9H,1-5H3
InChIKeyILPMCDRECHROSZ-UHFFFAOYSA-N
MW274.80 g/mol
LogP4.71
Rot. Bonds1

About 4-tert-butyl-6-chloro-2-(2,4-dimethylphenyl)pyrimidine

4-tert-butyl-6-chloro-2-(2,4-dimethylphenyl)pyrimidine (PubChem CID 43557888) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 4-tert-butyl-6-chloro-2-(2,4-dimethylphenyl)pyrimidine.

Molecular Properties

Compound Name4-tert-butyl-6-chloro-2-(2,4-dimethylphenyl)pyrimidine
PubChem CID43557888
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name4-tert-butyl-6-chloro-2-(2,4-dimethylphenyl)pyrimidine
SMILESCc1ccc(-c2nc(Cl)cc(C(C)(C)C)n2)c(C)c1
InChIInChI=1S/C16H19ClN2/c1-10-6-7-12(11(2)8-10)15-18-13(16(3,4)5)9-14(17)19-15/h6-9H,1-5H3
InChIKeyILPMCDRECHROSZ-UHFFFAOYSA-N
XLogP4.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-6-chloro-2-(2-chloro-4-fluorophenyl)pyrimidine
CID 62946502
2,4,6-tris(2,4-dimethylphenyl)-5H-pyrimidin-5-ide;vanadium
CID 58604237
2-(4-bromophenyl)-4-tert-butyl-6-chloropyrimidine
CID 43557541
4-tert-butyl-6-chloro-2-(4-fluorophenyl)pyrimidine
CID 43557554
2,4-bis(2,4-dimethylphenyl)-6-propan-2-yl-1,3,5-triazine
CID 126550804
4-chloro-2-(2,4-dimethylphenyl)quinazoline
CID 29293283
4-chloro-6-(2,4-dimethylphenyl)pyrimidin-2-amine
CID 141218795
[2-(4-bromo-2-methylphenyl)-6-tert-butylpyrimidin-4-yl]hydrazine
CID 103083846
2-(4-tert-butyl-6-chloropyrimidin-2-yl)-5-chloro-1,3-thiazole
CID 107124671
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]phenol
CID 135671150
2-(4-bromo-2-methylphenyl)-6-tert-butyl-N-ethylpyrimidin-4-amine
CID 103083746
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(2,2-dimethylpropyl)phenol
CID 177221556

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-chloro-2-(2,4-dimethylphenyl)pyrimidine?
The IUPAC name of 4-tert-butyl-6-chloro-2-(2,4-dimethylphenyl)pyrimidine (CID 43557888) is 4-tert-butyl-6-chloro-2-(2,4-dimethylphenyl)pyrimidine.
What is the SMILES notation for 4-tert-butyl-6-chloro-2-(2,4-dimethylphenyl)pyrimidine?
The canonical SMILES for 4-tert-butyl-6-chloro-2-(2,4-dimethylphenyl)pyrimidine is Cc1ccc(-c2nc(Cl)cc(C(C)(C)C)n2)c(C)c1.
What is the InChIKey of 4-tert-butyl-6-chloro-2-(2,4-dimethylphenyl)pyrimidine?
The InChIKey is ILPMCDRECHROSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-10-6-7-12(11(2)8-10)15-18-13(16(3,4)5)9-14(17)19-15/h6-9H,1-5H3.
What are the key properties of 4-tert-butyl-6-chloro-2-(2,4-dimethylphenyl)pyrimidine?
4-tert-butyl-6-chloro-2-(2,4-dimethylphenyl)pyrimidine has a molecular weight of 274.80 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-chloro-2-(2,4-dimethylphenyl)pyrimidine is sourced from PubChem (CID 43557888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).