2-chloro-4-(2-methoxy-4,6-dimethylphenyl)pyrimidine

C13H13ClN2O — CID 106681385

IUPAC2-chloro-4-(2-methoxy-4,6-dimethylphenyl)pyrimidine
SMILESCOc1cc(C)cc(C)c1-c1ccnc(Cl)n1
InChIInChI=1S/C13H13ClN2O/c1-8-6-9(2)12(11(7-8)17-3)10-4-5-15-13(14)16-10/h4-7H,1-3H3
InChIKeyHHZHDKAMNLVUHM-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.42
Rot. Bonds2

About 2-chloro-4-(2-methoxy-4,6-dimethylphenyl)pyrimidine

2-chloro-4-(2-methoxy-4,6-dimethylphenyl)pyrimidine (PubChem CID 106681385) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 2-chloro-4-(2-methoxy-4,6-dimethylphenyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2-methoxy-4,6-dimethylphenyl)pyrimidine
PubChem CID106681385
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name2-chloro-4-(2-methoxy-4,6-dimethylphenyl)pyrimidine
SMILESCOc1cc(C)cc(C)c1-c1ccnc(Cl)n1
InChIInChI=1S/C13H13ClN2O/c1-8-6-9(2)12(11(7-8)17-3)10-4-5-15-13(14)16-10/h4-7H,1-3H3
InChIKeyHHZHDKAMNLVUHM-UHFFFAOYSA-N
XLogP3.42
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methoxy-4,6-dimethylphenyl)pyrimidine-2-carbaldehyde
CID 116900259
2,4-dichloro-7-(2-methoxy-4,6-dimethylphenyl)pyrido[2,3-d]pyrimidine
CID 171085729
2-chloro-7-(2-methoxy-4,6-dimethylphenyl)-4-methylpyrido[2,3-d]pyrimidine
CID 171085788
2-chloro-4-(2-methoxy-4,6-dimethylphenyl)-6-(trifluoromethyl)pyrimidine
CID 106681427
4-(2,4-dimethoxy-6-methylphenyl)-2-methoxypyrimidine
CID 116903822
4-(2,4-dimethoxy-6-methylphenyl)pyrimidin-2-amine
CID 116900504
2-chloro-4-(4-fluoro-2-methoxyphenyl)pyrimidine
CID 24901904
2-chloro-4-(2,5-dimethoxyphenyl)pyrimidine
CID 24902001
6-(2-methoxy-4,6-dimethylphenyl)imidazo[1,2-b]pyridazine
CID 116854288
5-(2-chloropyrimidin-4-yl)-2-methoxyphenol
CID 91620392
2-bromo-4-(2-methoxy-4,6-dimethylphenyl)-1,3-thiazole
CID 116968062
6-(2-methoxy-4,6-dimethylphenyl)-2-methylpyrimidin-4-amine
CID 82478108

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-methoxy-4,6-dimethylphenyl)pyrimidine?
The IUPAC name of 2-chloro-4-(2-methoxy-4,6-dimethylphenyl)pyrimidine (CID 106681385) is 2-chloro-4-(2-methoxy-4,6-dimethylphenyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(2-methoxy-4,6-dimethylphenyl)pyrimidine?
The canonical SMILES for 2-chloro-4-(2-methoxy-4,6-dimethylphenyl)pyrimidine is COc1cc(C)cc(C)c1-c1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-4-(2-methoxy-4,6-dimethylphenyl)pyrimidine?
The InChIKey is HHZHDKAMNLVUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-8-6-9(2)12(11(7-8)17-3)10-4-5-15-13(14)16-10/h4-7H,1-3H3.
What are the key properties of 2-chloro-4-(2-methoxy-4,6-dimethylphenyl)pyrimidine?
2-chloro-4-(2-methoxy-4,6-dimethylphenyl)pyrimidine has a molecular weight of 248.71 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-methoxy-4,6-dimethylphenyl)pyrimidine is sourced from PubChem (CID 106681385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).