4,5-dimethyl-6-[(4-methylphenyl)methoxy]-2-propan-2-ylpyrimidine

C17H22N2O — CID 95922920

IUPAC4,5-dimethyl-6-[(4-methylphenyl)methoxy]-2-propan-2-ylpyrimidine
SMILESCc1ccc(COc2nc(C(C)C)nc(C)c2C)cc1
InChIInChI=1S/C17H22N2O/c1-11(2)16-18-14(5)13(4)17(19-16)20-10-15-8-6-12(3)7-9-15/h6-9,11H,10H2,1-5H3
InChIKeyNELNHTKVKZJOTO-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.10
Rot. Bonds4

About 4,5-dimethyl-6-[(4-methylphenyl)methoxy]-2-propan-2-ylpyrimidine

4,5-dimethyl-6-[(4-methylphenyl)methoxy]-2-propan-2-ylpyrimidine (PubChem CID 95922920) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 4,5-dimethyl-6-[(4-methylphenyl)methoxy]-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4,5-dimethyl-6-[(4-methylphenyl)methoxy]-2-propan-2-ylpyrimidine
PubChem CID95922920
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name4,5-dimethyl-6-[(4-methylphenyl)methoxy]-2-propan-2-ylpyrimidine
SMILESCc1ccc(COc2nc(C(C)C)nc(C)c2C)cc1
InChIInChI=1S/C17H22N2O/c1-11(2)16-18-14(5)13(4)17(19-16)20-10-15-8-6-12(3)7-9-15/h6-9,11H,10H2,1-5H3
InChIKeyNELNHTKVKZJOTO-UHFFFAOYSA-N
XLogP4.10
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,5-dimethyl-6-[(4-methylphenyl)methoxy]-2-propan-2-ylpyrimidine 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

2-(4-fluorophenyl)-4,5-dimethyl-6-[(4-methylphenyl)methoxy]pyrimidine
CID 95922976
6-[(3-bromophenyl)methoxy]-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 82807711
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
5-methyl-2-propan-2-yl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80990262
6-[(2-fluorophenyl)methoxy]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80989838
2-ethyl-4-[(4-methylphenyl)methoxy]-6-propan-2-ylpyrimidine
CID 95923442
(4-methylphenyl)methyl hypochlorite
CID 174764062
4,5-dimethyl-6-phenylmethoxy-2-pyrazin-2-ylpyrimidine
CID 95922345
4-methoxy-6-[(4-methylphenyl)methoxy]-2-methylsulfonylpyrimidine
CID 19690805
4-[(3-fluoro-4-methoxyphenyl)methoxy]-2-(4-fluorophenyl)-5,6-dimethylpyrimidine
CID 95922989
4-[(4-methylphenyl)methoxy]-N-propan-2-ylaniline
CID 155469533
5-methyl-2-propan-2-yl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80990902

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-6-[(4-methylphenyl)methoxy]-2-propan-2-ylpyrimidine?
The IUPAC name of 4,5-dimethyl-6-[(4-methylphenyl)methoxy]-2-propan-2-ylpyrimidine (CID 95922920) is 4,5-dimethyl-6-[(4-methylphenyl)methoxy]-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4,5-dimethyl-6-[(4-methylphenyl)methoxy]-2-propan-2-ylpyrimidine?
The canonical SMILES for 4,5-dimethyl-6-[(4-methylphenyl)methoxy]-2-propan-2-ylpyrimidine is Cc1ccc(COc2nc(C(C)C)nc(C)c2C)cc1.
What is the InChIKey of 4,5-dimethyl-6-[(4-methylphenyl)methoxy]-2-propan-2-ylpyrimidine?
The InChIKey is NELNHTKVKZJOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-11(2)16-18-14(5)13(4)17(19-16)20-10-15-8-6-12(3)7-9-15/h6-9,11H,10H2,1-5H3.
What are the key properties of 4,5-dimethyl-6-[(4-methylphenyl)methoxy]-2-propan-2-ylpyrimidine?
4,5-dimethyl-6-[(4-methylphenyl)methoxy]-2-propan-2-ylpyrimidine has a molecular weight of 270.38 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-6-[(4-methylphenyl)methoxy]-2-propan-2-ylpyrimidine is sourced from PubChem (CID 95922920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).