4-chloro-2-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine

C15H17ClN2O — CID 62481702

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

About 4-chloro-2-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine

4-chloro-2-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine (PubChem CID 62481702) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine
PubChem CID62481702
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name4-chloro-2-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine
SMILESCc1ccc(C(C)C)c(Oc2cc(Cl)nc(C)n2)c1
InChIInChI=1S/C15H17ClN2O/c1-9(2)12-6-5-10(3)7-13(12)19-15-8-14(16)17-11(4)18-15/h5-9H,1-4H3
InChIKeyVDNQFBRKRUGBRT-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

Analyze 4-chloro-2-methyl-6-(5-methyl-2-propan-2-ylphenoxy)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-(2,5-dimethylphenoxy)-2-propan-2-ylpyrimidine
CID 80949225
2,5-dimethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine
CID 80864721
6-(5-methyl-2-propan-2-ylphenoxy)-2-methylsulfanylpyrimidin-4-amine
CID 80864015
2-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine
CID 80941059
[4-chloro-2-(5-methyl-2-propan-2-ylphenoxy)phenyl]methanol
CID 114846021
N-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrazin-2-amine
CID 80863610
4-N-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
CID 80866048
[4-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-2-yl]hydrazine
CID 80915964
4-(4-bromo-2,5-dichlorophenoxy)-6-chloro-2-methylpyrimidine
CID 107657822
6-methyl-2-(5-methyl-2-propan-2-ylphenoxy)pyridin-3-amine
CID 79021239
2-(chloromethyl)-4-(5-methyl-2-propan-2-ylphenoxy)pyridine
CID 61269909
2-(5-methyl-2-propan-2-ylphenoxy)-5-(trifluoromethyl)pyridine
CID 895271

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine?
The IUPAC name of 4-chloro-2-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine (CID 62481702) is 4-chloro-2-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine.
What is the SMILES notation for 4-chloro-2-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine?
The canonical SMILES for 4-chloro-2-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine is Cc1ccc(C(C)C)c(Oc2cc(Cl)nc(C)n2)c1.
What is the InChIKey of 4-chloro-2-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine?
The InChIKey is VDNQFBRKRUGBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-9(2)12-6-5-10(3)7-13(12)19-15-8-14(16)17-11(4)18-15/h5-9H,1-4H3.
What are the key properties of 4-chloro-2-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine?
4-chloro-2-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine 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-2-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine is sourced from PubChem (CID 62481702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).