2-tert-butyl-4-chloro-6-(4-methoxy-2-methylphenyl)pyrimidine

C16H19ClN2O — CID 80952600

IUPAC2-tert-butyl-4-chloro-6-(4-methoxy-2-methylphenyl)pyrimidine
SMILESCOc1ccc(-c2cc(Cl)nc(C(C)(C)C)n2)c(C)c1
InChIInChI=1S/C16H19ClN2O/c1-10-8-11(20-5)6-7-12(10)13-9-14(17)19-15(18-13)16(2,3)4/h6-9H,1-5H3
InChIKeyRAIUPHMGCXZHOA-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.41
Rot. Bonds2

About 2-tert-butyl-4-chloro-6-(4-methoxy-2-methylphenyl)pyrimidine

2-tert-butyl-4-chloro-6-(4-methoxy-2-methylphenyl)pyrimidine (PubChem CID 80952600) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-6-(4-methoxy-2-methylphenyl)pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-6-(4-methoxy-2-methylphenyl)pyrimidine
PubChem CID80952600
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name2-tert-butyl-4-chloro-6-(4-methoxy-2-methylphenyl)pyrimidine
SMILESCOc1ccc(-c2cc(Cl)nc(C(C)(C)C)n2)c(C)c1
InChIInChI=1S/C16H19ClN2O/c1-10-8-11(20-5)6-7-12(10)13-9-14(17)19-15(18-13)16(2,3)4/h6-9H,1-5H3
InChIKeyRAIUPHMGCXZHOA-UHFFFAOYSA-N
XLogP4.41
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-ethyl-6-(4-methoxy-2-methylphenyl)pyrimidine
CID 80936399
2-tert-butyl-4-chloro-6-(2,6-dimethoxyphenyl)pyrimidine
CID 116811210
2-tert-butyl-4-chloro-6-(2,5-dichlorophenyl)pyrimidine
CID 80953036
2-tert-butyl-4-chloro-6-(2,4,5-trifluorophenyl)pyrimidine
CID 115503244
2-tert-butyl-4-chloro-6-(3-fluoro-2-methylphenyl)pyrimidine
CID 115502930
4-(4-methoxy-2-methylphenyl)-2-methyl-1H-pyrimidin-6-one
CID 136955604
2-ethyl-6-(4-methoxy-2-methylphenyl)-N-propylpyrimidin-4-amine
CID 80939033
2-tert-butyl-4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidine
CID 107169197
4-chloro-6-(2-methoxy-5-methylphenyl)-2-(trifluoromethyl)pyrimidine
CID 106768889
2-(4-methoxy-2-methylphenyl)-6-propan-2-ylpyridine
CID 67473607
2-tert-butyl-4-chloro-6-(4-chlorophenoxy)pyrimidine
CID 80949039
6-(4-methoxy-2-methylphenyl)pyridin-3-ol
CID 53229332

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-6-(4-methoxy-2-methylphenyl)pyrimidine?
The IUPAC name of 2-tert-butyl-4-chloro-6-(4-methoxy-2-methylphenyl)pyrimidine (CID 80952600) is 2-tert-butyl-4-chloro-6-(4-methoxy-2-methylphenyl)pyrimidine.
What is the SMILES notation for 2-tert-butyl-4-chloro-6-(4-methoxy-2-methylphenyl)pyrimidine?
The canonical SMILES for 2-tert-butyl-4-chloro-6-(4-methoxy-2-methylphenyl)pyrimidine is COc1ccc(-c2cc(Cl)nc(C(C)(C)C)n2)c(C)c1.
What is the InChIKey of 2-tert-butyl-4-chloro-6-(4-methoxy-2-methylphenyl)pyrimidine?
The InChIKey is RAIUPHMGCXZHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-10-8-11(20-5)6-7-12(10)13-9-14(17)19-15(18-13)16(2,3)4/h6-9H,1-5H3.
What are the key properties of 2-tert-butyl-4-chloro-6-(4-methoxy-2-methylphenyl)pyrimidine?
2-tert-butyl-4-chloro-6-(4-methoxy-2-methylphenyl)pyrimidine has a molecular weight of 290.79 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-6-(4-methoxy-2-methylphenyl)pyrimidine is sourced from PubChem (CID 80952600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).