2-ethyl-4-[(4-methylphenyl)methoxy]-6-propan-2-ylpyrimidine

C17H22N2O — CID 95923442

IUPAC2-ethyl-4-[(4-methylphenyl)methoxy]-6-propan-2-ylpyrimidine
SMILESCCc1nc(OCc2ccc(C)cc2)cc(C(C)C)n1
InChIInChI=1S/C17H22N2O/c1-5-16-18-15(12(2)3)10-17(19-16)20-11-14-8-6-13(4)7-9-14/h6-10,12H,5,11H2,1-4H3
InChIKeySOSGSBUAXCAKNJ-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.05
Rot. Bonds5

About 2-ethyl-4-[(4-methylphenyl)methoxy]-6-propan-2-ylpyrimidine

2-ethyl-4-[(4-methylphenyl)methoxy]-6-propan-2-ylpyrimidine (PubChem CID 95923442) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-ethyl-4-[(4-methylphenyl)methoxy]-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name2-ethyl-4-[(4-methylphenyl)methoxy]-6-propan-2-ylpyrimidine
PubChem CID95923442
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-ethyl-4-[(4-methylphenyl)methoxy]-6-propan-2-ylpyrimidine
SMILESCCc1nc(OCc2ccc(C)cc2)cc(C(C)C)n1
InChIInChI=1S/C17H22N2O/c1-5-16-18-15(12(2)3)10-17(19-16)20-11-14-8-6-13(4)7-9-14/h6-10,12H,5,11H2,1-4H3
InChIKeySOSGSBUAXCAKNJ-UHFFFAOYSA-N
XLogP4.05
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(4-chlorophenyl)methoxy]-2-ethylpyrimidin-4-amine
CID 80941277
4-ethyl-6-[(4-methylphenyl)methoxy]-2-phenylpyrimidine
CID 95923003
4-methyl-2-(4-methylphenyl)-6-[(4-methylphenyl)methoxy]pyrimidine
CID 95923110
6-[(4-bromophenyl)methoxy]-N,2-diethylpyrimidin-4-amine
CID 82825534
2-(6-ethoxy-2-ethylpyrimidin-4-yl)propan-1-amine
CID 83884584
2-[(4-methylphenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 63485245
4-[[2-(3,5-dichlorophenyl)-6-propan-2-ylpyrimidin-4-yl]oxymethyl]benzoic acid
CID 10070570
4-methoxy-6-[(4-methylphenyl)methoxy]-2-methylsulfonylpyrimidine
CID 19690805
2-ethyl-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 62192702
4,5-dimethyl-6-[(4-methylphenyl)methoxy]-2-propan-2-ylpyrimidine
CID 95922920
2-ethyl-4-(6-methyl-2-pyridinyl)-6-propan-2-ylpyrimidine
CID 14995959
(1S)-1-[2-[(4-ethylphenyl)methoxy]-5-methylphenyl]ethanamine
CID 78936783

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(4-methylphenyl)methoxy]-6-propan-2-ylpyrimidine?
The IUPAC name of 2-ethyl-4-[(4-methylphenyl)methoxy]-6-propan-2-ylpyrimidine (CID 95923442) is 2-ethyl-4-[(4-methylphenyl)methoxy]-6-propan-2-ylpyrimidine.
What is the SMILES notation for 2-ethyl-4-[(4-methylphenyl)methoxy]-6-propan-2-ylpyrimidine?
The canonical SMILES for 2-ethyl-4-[(4-methylphenyl)methoxy]-6-propan-2-ylpyrimidine is CCc1nc(OCc2ccc(C)cc2)cc(C(C)C)n1.
What is the InChIKey of 2-ethyl-4-[(4-methylphenyl)methoxy]-6-propan-2-ylpyrimidine?
The InChIKey is SOSGSBUAXCAKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-5-16-18-15(12(2)3)10-17(19-16)20-11-14-8-6-13(4)7-9-14/h6-10,12H,5,11H2,1-4H3.
What are the key properties of 2-ethyl-4-[(4-methylphenyl)methoxy]-6-propan-2-ylpyrimidine?
2-ethyl-4-[(4-methylphenyl)methoxy]-6-propan-2-ylpyrimidine has a molecular weight of 270.38 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(4-methylphenyl)methoxy]-6-propan-2-ylpyrimidine is sourced from PubChem (CID 95923442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).