2-methyl-4-(2-methyl-4-propan-2-ylphenoxy)pyrimidine

C15H18N2O — CID 147253984

IUPAC2-methyl-4-(2-methyl-4-propan-2-ylphenoxy)pyrimidine
SMILESCc1nccc(Oc2ccc(C(C)C)cc2C)n1
InChIInChI=1S/C15H18N2O/c1-10(2)13-5-6-14(11(3)9-13)18-15-7-8-16-12(4)17-15/h5-10H,1-4H3
InChIKeyCNFRFXAUKPFBRS-UHFFFAOYSA-N
MW242.32 g/mol
LogP4.01
Rot. Bonds3

About 2-methyl-4-(2-methyl-4-propan-2-ylphenoxy)pyrimidine

2-methyl-4-(2-methyl-4-propan-2-ylphenoxy)pyrimidine (PubChem CID 147253984) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-methyl-4-(2-methyl-4-propan-2-ylphenoxy)pyrimidine.

Molecular Properties

Compound Name2-methyl-4-(2-methyl-4-propan-2-ylphenoxy)pyrimidine
PubChem CID147253984
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-methyl-4-(2-methyl-4-propan-2-ylphenoxy)pyrimidine
SMILESCc1nccc(Oc2ccc(C(C)C)cc2C)n1
InChIInChI=1S/C15H18N2O/c1-10(2)13-5-6-14(11(3)9-13)18-15-7-8-16-12(4)17-15/h5-10H,1-4H3
InChIKeyCNFRFXAUKPFBRS-UHFFFAOYSA-N
XLogP4.01
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-4-(2-methyl-4-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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methyl-4-propan-2-ylphenoxy)pyrimidine?
The IUPAC name of 2-methyl-4-(2-methyl-4-propan-2-ylphenoxy)pyrimidine (CID 147253984) is 2-methyl-4-(2-methyl-4-propan-2-ylphenoxy)pyrimidine.
What is the SMILES notation for 2-methyl-4-(2-methyl-4-propan-2-ylphenoxy)pyrimidine?
The canonical SMILES for 2-methyl-4-(2-methyl-4-propan-2-ylphenoxy)pyrimidine is Cc1nccc(Oc2ccc(C(C)C)cc2C)n1.
What is the InChIKey of 2-methyl-4-(2-methyl-4-propan-2-ylphenoxy)pyrimidine?
The InChIKey is CNFRFXAUKPFBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-10(2)13-5-6-14(11(3)9-13)18-15-7-8-16-12(4)17-15/h5-10H,1-4H3.
What are the key properties of 2-methyl-4-(2-methyl-4-propan-2-ylphenoxy)pyrimidine?
2-methyl-4-(2-methyl-4-propan-2-ylphenoxy)pyrimidine has a molecular weight of 242.32 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methyl-4-propan-2-ylphenoxy)pyrimidine is sourced from PubChem (CID 147253984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).