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

C15H17ClN2O — CID 63736592

IUPAC4-chloro-6-(2,4-dimethylphenoxy)-5-propan-2-ylpyrimidine
SMILESCc1ccc(Oc2ncnc(Cl)c2C(C)C)c(C)c1
InChIInChI=1S/C15H17ClN2O/c1-9(2)13-14(16)17-8-18-15(13)19-12-6-5-10(3)7-11(12)4/h5-9H,1-4H3
InChIKeyPBWQYCSIRSUZER-UHFFFAOYSA-N
MW276.77 g/mol
LogP4.66
Rot. Bonds3

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

4-chloro-6-(2,4-dimethylphenoxy)-5-propan-2-ylpyrimidine (PubChem CID 63736592) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 4-chloro-6-(2,4-dimethylphenoxy)-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2,4-dimethylphenoxy)-5-propan-2-ylpyrimidine
PubChem CID63736592
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name4-chloro-6-(2,4-dimethylphenoxy)-5-propan-2-ylpyrimidine
SMILESCc1ccc(Oc2ncnc(Cl)c2C(C)C)c(C)c1
InChIInChI=1S/C15H17ClN2O/c1-9(2)13-14(16)17-8-18-15(13)19-12-6-5-10(3)7-11(12)4/h5-9H,1-4H3
InChIKeyPBWQYCSIRSUZER-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

4-chloro-5-(chloromethyl)-6-(2,4-dimethylphenoxy)pyrimidine
CID 107086680
4-chloro-6-(3-methylphenoxy)-5-propan-2-ylpyrimidine
CID 63736411
4-chloro-6-(2,5-dichlorophenoxy)-5-propan-2-ylpyrimidine
CID 55229855
4-chloro-6-(2,6-dimethoxyphenoxy)-5-propan-2-ylpyrimidine
CID 63736223
4-chloro-6-(2-chloro-4-nitrophenoxy)-5-propan-2-ylpyrimidine
CID 63736070
4-chloro-6-(4-fluorophenoxy)-5-propan-2-ylpyrimidine
CID 63734173
4-chloro-6-(2,4-dimethylphenoxy)pyrimidine
CID 60726049
4-chloro-5-propan-2-yl-6-(2-propoxyphenoxy)pyrimidine
CID 63735708
3-chloro-4-(2,4-dimethylphenoxy)-1,2,5-thiadiazole
CID 60726072
4-(3-bromo-4-fluorophenoxy)-6-chloro-5-propan-2-ylpyrimidine
CID 83232893
5-(6-chloro-5-propan-2-ylpyrimidin-4-yl)oxyquinoline
CID 103044674
[6-(2-methoxy-4-methylphenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80909009

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,4-dimethylphenoxy)-5-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-(2,4-dimethylphenoxy)-5-propan-2-ylpyrimidine (CID 63736592) is 4-chloro-6-(2,4-dimethylphenoxy)-5-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2,4-dimethylphenoxy)-5-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-(2,4-dimethylphenoxy)-5-propan-2-ylpyrimidine is Cc1ccc(Oc2ncnc(Cl)c2C(C)C)c(C)c1.
What is the InChIKey of 4-chloro-6-(2,4-dimethylphenoxy)-5-propan-2-ylpyrimidine?
The InChIKey is PBWQYCSIRSUZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-9(2)13-14(16)17-8-18-15(13)19-12-6-5-10(3)7-11(12)4/h5-9H,1-4H3.
What are the key properties of 4-chloro-6-(2,4-dimethylphenoxy)-5-propan-2-ylpyrimidine?
4-chloro-6-(2,4-dimethylphenoxy)-5-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-(2,4-dimethylphenoxy)-5-propan-2-ylpyrimidine is sourced from PubChem (CID 63736592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).