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

C16H19ClN2O2 — CID 116811210

IUPAC2-tert-butyl-4-chloro-6-(2,6-dimethoxyphenyl)pyrimidine
SMILESCOc1cccc(OC)c1-c1cc(Cl)nc(C(C)(C)C)n1
InChIInChI=1S/C16H19ClN2O2/c1-16(2,3)15-18-10(9-13(17)19-15)14-11(20-4)7-6-8-12(14)21-5/h6-9H,1-5H3
InChIKeyHZGHDGHCBYNIMS-UHFFFAOYSA-N
MW306.79 g/mol
LogP4.11
Rot. Bonds3

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

2-tert-butyl-4-chloro-6-(2,6-dimethoxyphenyl)pyrimidine (PubChem CID 116811210) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-6-(2,6-dimethoxyphenyl)pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-6-(2,6-dimethoxyphenyl)pyrimidine
PubChem CID116811210
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name2-tert-butyl-4-chloro-6-(2,6-dimethoxyphenyl)pyrimidine
SMILESCOc1cccc(OC)c1-c1cc(Cl)nc(C(C)(C)C)n1
InChIInChI=1S/C16H19ClN2O2/c1-16(2,3)15-18-10(9-13(17)19-15)14-11(20-4)7-6-8-12(14)21-5/h6-9H,1-5H3
InChIKeyHZGHDGHCBYNIMS-UHFFFAOYSA-N
XLogP4.11
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-tert-butyl-4-chloro-6-(2,6-dimethoxyphenyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-6-(2,6-dimethoxyphenyl)-2-propan-2-ylpyrimidine
CID 116811182
2-tert-butyl-4-chloro-6-(2-propan-2-yloxyphenyl)pyrimidine
CID 80946930
2-chloro-4-(2,6-dimethoxyphenyl)-6-methylpyrimidine
CID 116811184
2-tert-butyl-4-chloro-6-(4-methoxy-2-methylphenyl)pyrimidine
CID 80952600
2-tert-butyl-4-chloro-6-(3-fluoro-2-methylphenyl)pyrimidine
CID 115502930
2-tert-butyl-4-chloro-6-(3-nitrophenyl)pyrimidine
CID 80952591
4-chloro-6-(2-methoxy-5-methylphenyl)-2-(trifluoromethyl)pyrimidine
CID 106768889
2-tert-butyl-4-chloro-6-(2,5-dichlorophenyl)pyrimidine
CID 80953036
2-tert-butyl-4-chloro-6-(2-fluorophenoxy)pyrimidine
CID 80948165
2-tert-butyl-4-chloro-6-(2,4,5-trifluorophenyl)pyrimidine
CID 115503244
2-tert-butyl-4-chloro-6-(3,4,5-trifluorophenyl)pyrimidine
CID 80952369
4-chloro-2-(2-chloro-6-methoxyphenyl)-6-cyclopentylpyrimidine
CID 104816928

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-6-(2,6-dimethoxyphenyl)pyrimidine?
The IUPAC name of 2-tert-butyl-4-chloro-6-(2,6-dimethoxyphenyl)pyrimidine (CID 116811210) is 2-tert-butyl-4-chloro-6-(2,6-dimethoxyphenyl)pyrimidine.
What is the SMILES notation for 2-tert-butyl-4-chloro-6-(2,6-dimethoxyphenyl)pyrimidine?
The canonical SMILES for 2-tert-butyl-4-chloro-6-(2,6-dimethoxyphenyl)pyrimidine is COc1cccc(OC)c1-c1cc(Cl)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-chloro-6-(2,6-dimethoxyphenyl)pyrimidine?
The InChIKey is HZGHDGHCBYNIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-16(2,3)15-18-10(9-13(17)19-15)14-11(20-4)7-6-8-12(14)21-5/h6-9H,1-5H3.
What are the key properties of 2-tert-butyl-4-chloro-6-(2,6-dimethoxyphenyl)pyrimidine?
2-tert-butyl-4-chloro-6-(2,6-dimethoxyphenyl)pyrimidine has a molecular weight of 306.79 g/mol, XLogP of 4.11, 3 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-(2,6-dimethoxyphenyl)pyrimidine is sourced from PubChem (CID 116811210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).