4-chloro-6-(2,5-dimethylphenoxy)-2-propan-2-ylpyrimidine

C15H17ClN2O — CID 80949225

IUPAC4-chloro-6-(2,5-dimethylphenoxy)-2-propan-2-ylpyrimidine
SMILESCc1ccc(C)c(Oc2cc(Cl)nc(C(C)C)n2)c1
InChIInChI=1S/C15H17ClN2O/c1-9(2)15-17-13(16)8-14(18-15)19-12-7-10(3)5-6-11(12)4/h5-9H,1-4H3
InChIKeyYNMCXITYYDQGGI-UHFFFAOYSA-N
MW276.77 g/mol
LogP4.66
Rot. Bonds3

About 4-chloro-6-(2,5-dimethylphenoxy)-2-propan-2-ylpyrimidine

4-chloro-6-(2,5-dimethylphenoxy)-2-propan-2-ylpyrimidine (PubChem CID 80949225) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 4-chloro-6-(2,5-dimethylphenoxy)-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2,5-dimethylphenoxy)-2-propan-2-ylpyrimidine
PubChem CID80949225
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name4-chloro-6-(2,5-dimethylphenoxy)-2-propan-2-ylpyrimidine
SMILESCc1ccc(C)c(Oc2cc(Cl)nc(C(C)C)n2)c1
InChIInChI=1S/C15H17ClN2O/c1-9(2)15-17-13(16)8-14(18-15)19-12-7-10(3)5-6-11(12)4/h5-9H,1-4H3
InChIKeyYNMCXITYYDQGGI-UHFFFAOYSA-N
XLogP4.66
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,5-dimethylphenoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80966556
3-(6-chloro-2-propan-2-ylpyrimidin-4-yl)oxy-4-methylbenzonitrile
CID 107657756
4-chloro-2-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine
CID 62481702
4-chloro-6-(2,3-dichlorophenoxy)-2-propan-2-ylpyrimidine
CID 80948461
4-chloro-6-(4-chloro-3-methylphenoxy)-2-propan-2-ylpyrimidine
CID 80949504
4-chloro-6-(2,5-dimethylphenoxy)pyrimidine
CID 60706529
4-chloro-2-propan-2-yl-6-[2-(trifluoromethyl)phenoxy]pyrimidine
CID 80944790
3-chloro-6-(2,5-dimethylphenoxy)pyridazine
CID 60675027
4-chloro-6-naphthalen-2-yloxy-2-propan-2-ylpyrimidine
CID 80944180
4-(2-butan-2-ylphenoxy)-6-chloro-2-propan-2-ylpyrimidine
CID 80943134
4-(4-tert-butylphenoxy)-6-chloro-2-propan-2-ylpyrimidine
CID 80944176
4-chloro-6-(3-chlorophenoxy)-2-propan-2-ylpyrimidine
CID 80948656

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,5-dimethylphenoxy)-2-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-(2,5-dimethylphenoxy)-2-propan-2-ylpyrimidine (CID 80949225) is 4-chloro-6-(2,5-dimethylphenoxy)-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2,5-dimethylphenoxy)-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-(2,5-dimethylphenoxy)-2-propan-2-ylpyrimidine is Cc1ccc(C)c(Oc2cc(Cl)nc(C(C)C)n2)c1.
What is the InChIKey of 4-chloro-6-(2,5-dimethylphenoxy)-2-propan-2-ylpyrimidine?
The InChIKey is YNMCXITYYDQGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-9(2)15-17-13(16)8-14(18-15)19-12-7-10(3)5-6-11(12)4/h5-9H,1-4H3.
What are the key properties of 4-chloro-6-(2,5-dimethylphenoxy)-2-propan-2-ylpyrimidine?
4-chloro-6-(2,5-dimethylphenoxy)-2-propan-2-ylpyrimidine has a molecular weight of 276.77 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,5-dimethylphenoxy)-2-propan-2-ylpyrimidine is sourced from PubChem (CID 80949225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).