4-chloro-6-(2,6-dimethoxyphenyl)-2-propan-2-ylpyrimidine

C15H17ClN2O2 — CID 116811182

IUPAC4-chloro-6-(2,6-dimethoxyphenyl)-2-propan-2-ylpyrimidine
SMILESCOc1cccc(OC)c1-c1cc(Cl)nc(C(C)C)n1
InChIInChI=1S/C15H17ClN2O2/c1-9(2)15-17-10(8-13(16)18-15)14-11(19-3)6-5-7-12(14)20-4/h5-9H,1-4H3
InChIKeyUSXQEEAAYLMHHJ-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.94
Rot. Bonds4

About 4-chloro-6-(2,6-dimethoxyphenyl)-2-propan-2-ylpyrimidine

4-chloro-6-(2,6-dimethoxyphenyl)-2-propan-2-ylpyrimidine (PubChem CID 116811182) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-chloro-6-(2,6-dimethoxyphenyl)-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2,6-dimethoxyphenyl)-2-propan-2-ylpyrimidine
PubChem CID116811182
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name4-chloro-6-(2,6-dimethoxyphenyl)-2-propan-2-ylpyrimidine
SMILESCOc1cccc(OC)c1-c1cc(Cl)nc(C(C)C)n1
InChIInChI=1S/C15H17ClN2O2/c1-9(2)15-17-10(8-13(16)18-15)14-11(19-3)6-5-7-12(14)20-4/h5-9H,1-4H3
InChIKeyUSXQEEAAYLMHHJ-UHFFFAOYSA-N
XLogP3.94
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-(3-methoxy-2-pyridinyl)-2-propan-2-ylpyrimidine
CID 114054131
4-chloro-6-(5-chloro-2-methoxyphenyl)-2-propan-2-ylpyrimidine
CID 80952660
2-tert-butyl-4-chloro-6-(2,6-dimethoxyphenyl)pyrimidine
CID 116811210
4-chloro-6-(2-methoxy-5-methylphenyl)-2-propan-2-ylpyrimidine
CID 80952524
2-chloro-4-(2,6-dimethoxyphenyl)-6-methylpyrimidine
CID 116811184
4-chloro-6-(3-fluorophenyl)-2-propan-2-ylpyrimidine
CID 80952962
4-chloro-2-propan-2-yl-6-(4-propan-2-ylphenyl)pyrimidine
CID 80952817
4-chloro-6-(2,3-dichlorophenoxy)-2-propan-2-ylpyrimidine
CID 80948461
8-(6-chloro-2-propan-2-ylpyrimidin-4-yl)quinoline
CID 81222122
3-(6-chloro-2-propan-2-ylpyrimidin-4-yl)benzonitrile
CID 80952960
4-chloro-6-(3-cyclopropyloxyphenyl)-2-propan-2-ylpyrimidine
CID 114523154
6-chloro-N-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 80953300

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,6-dimethoxyphenyl)-2-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-(2,6-dimethoxyphenyl)-2-propan-2-ylpyrimidine (CID 116811182) is 4-chloro-6-(2,6-dimethoxyphenyl)-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2,6-dimethoxyphenyl)-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-(2,6-dimethoxyphenyl)-2-propan-2-ylpyrimidine is COc1cccc(OC)c1-c1cc(Cl)nc(C(C)C)n1.
What is the InChIKey of 4-chloro-6-(2,6-dimethoxyphenyl)-2-propan-2-ylpyrimidine?
The InChIKey is USXQEEAAYLMHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-9(2)15-17-10(8-13(16)18-15)14-11(19-3)6-5-7-12(14)20-4/h5-9H,1-4H3.
What are the key properties of 4-chloro-6-(2,6-dimethoxyphenyl)-2-propan-2-ylpyrimidine?
4-chloro-6-(2,6-dimethoxyphenyl)-2-propan-2-ylpyrimidine has a molecular weight of 292.77 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,6-dimethoxyphenyl)-2-propan-2-ylpyrimidine is sourced from PubChem (CID 116811182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).