4-chloro-2-methyl-6-(1-phenylethoxy)pyrimidine

C13H13ClN2O — CID 62483949

IUPAC4-chloro-2-methyl-6-(1-phenylethoxy)pyrimidine
SMILESCc1nc(Cl)cc(OC(C)c2ccccc2)n1
InChIInChI=1S/C13H13ClN2O/c1-9(11-6-4-3-5-7-11)17-13-8-12(14)15-10(2)16-13/h3-9H,1-2H3
InChIKeyUWUIYOKVOQXVFZ-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.58
Rot. Bonds3

About 4-chloro-2-methyl-6-(1-phenylethoxy)pyrimidine

4-chloro-2-methyl-6-(1-phenylethoxy)pyrimidine (PubChem CID 62483949) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-(1-phenylethoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-methyl-6-(1-phenylethoxy)pyrimidine
PubChem CID62483949
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name4-chloro-2-methyl-6-(1-phenylethoxy)pyrimidine
SMILESCc1nc(Cl)cc(OC(C)c2ccccc2)n1
InChIInChI=1S/C13H13ClN2O/c1-9(11-6-4-3-5-7-11)17-13-8-12(14)15-10(2)16-13/h3-9H,1-2H3
InChIKeyUWUIYOKVOQXVFZ-UHFFFAOYSA-N
XLogP3.58
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-methyl-6-(1-phenylethoxy)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-(1-phenylethoxy)pyrimidine
CID 61279152
2-methyl-6-(1-phenylethoxy)-N-propylpyrimidin-4-amine
CID 80859945
2-methyl-6-(1-phenylethoxy)pyridine-4-carboxylic acid
CID 113378245
4-chloro-2-methyl-6-(2-phenoxyethoxy)pyrimidine
CID 62483754
4-[(2R)-butan-2-yl]oxy-6-chloro-2-methylpyrimidine
CID 129367902
4-chloro-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine
CID 66277825
4-but-3-yn-2-yloxy-6-chloro-2-methylpyrimidine
CID 106794793
3-chloro-5-(1-phenylethoxy)-1,2,4-triazine
CID 114999692
2-ethyl-6-(1-phenylethoxy)pyrimidin-4-amine
CID 80941044
4-chloro-2-methyl-6-naphthalen-1-yloxypyrimidine
CID 62482714
N'-hydroxy-2-methyl-6-(1-phenylethoxy)pyridine-4-carboximidamide
CID 137013719
3,6-dichloro-4-(1-phenylethoxy)-1H-pyrrolo[2,3-b]pyridine
CID 166675788

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-(1-phenylethoxy)pyrimidine?
The IUPAC name of 4-chloro-2-methyl-6-(1-phenylethoxy)pyrimidine (CID 62483949) is 4-chloro-2-methyl-6-(1-phenylethoxy)pyrimidine.
What is the SMILES notation for 4-chloro-2-methyl-6-(1-phenylethoxy)pyrimidine?
The canonical SMILES for 4-chloro-2-methyl-6-(1-phenylethoxy)pyrimidine is Cc1nc(Cl)cc(OC(C)c2ccccc2)n1.
What is the InChIKey of 4-chloro-2-methyl-6-(1-phenylethoxy)pyrimidine?
The InChIKey is UWUIYOKVOQXVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-9(11-6-4-3-5-7-11)17-13-8-12(14)15-10(2)16-13/h3-9H,1-2H3.
What are the key properties of 4-chloro-2-methyl-6-(1-phenylethoxy)pyrimidine?
4-chloro-2-methyl-6-(1-phenylethoxy)pyrimidine has a molecular weight of 248.71 g/mol, XLogP of 3.58, 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-(1-phenylethoxy)pyrimidine is sourced from PubChem (CID 62483949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).