4-ethyl-6-[(4-methylphenyl)methoxy]-2-phenylpyrimidine

C20H20N2O — CID 95923003

IUPAC4-ethyl-6-[(4-methylphenyl)methoxy]-2-phenylpyrimidine
SMILESCCc1cc(OCc2ccc(C)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H20N2O/c1-3-18-13-19(23-14-16-11-9-15(2)10-12-16)22-20(21-18)17-7-5-4-6-8-17/h4-13H,3,14H2,1-2H3
InChIKeyCIIKOSNAOXZQPZ-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.59
Rot. Bonds5

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

4-ethyl-6-[(4-methylphenyl)methoxy]-2-phenylpyrimidine (PubChem CID 95923003) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-ethyl-6-[(4-methylphenyl)methoxy]-2-phenylpyrimidine.

Molecular Properties

Compound Name4-ethyl-6-[(4-methylphenyl)methoxy]-2-phenylpyrimidine
PubChem CID95923003
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name4-ethyl-6-[(4-methylphenyl)methoxy]-2-phenylpyrimidine
SMILESCCc1cc(OCc2ccc(C)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H20N2O/c1-3-18-13-19(23-14-16-11-9-15(2)10-12-16)22-20(21-18)17-7-5-4-6-8-17/h4-13H,3,14H2,1-2H3
InChIKeyCIIKOSNAOXZQPZ-UHFFFAOYSA-N
XLogP4.59
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-(4-methylphenyl)-6-[(4-methylphenyl)methoxy]pyrimidine
CID 95923110
4-[(3,4-difluorophenyl)methoxy]-6-ethyl-2-(4-fluorophenyl)pyrimidine
CID 95922959
2-(4-fluorophenyl)-4-methyl-6-phenylmethoxypyrimidine
CID 95922321
2-phenyl-4-[4-(2-phenyl-6-propylpyrimidin-4-yl)oxybutoxy]-6-propylpyrimidine
CID 74538841
2-ethyl-4-[(4-methylphenyl)methoxy]-6-propan-2-ylpyrimidine
CID 95923442
4-(methoxymethyl)-6-[(3-methylphenyl)methoxy]-2-pyridin-4-ylpyrimidine
CID 95923238
2,6-diethyl-4-(phenoxymethyl)pyridine
CID 91150139
4-methoxy-2-(4-methylphenyl)-6-phenylpyrimidine
CID 12703705
[6-methoxy-2-(4-methylphenyl)pyrimidin-4-yl]methanamine
CID 83864402
2-[(4-methylphenyl)methoxy]-4-phenylmethoxypyridine
CID 67304946
(6-ethyl-2-phenylpyrimidin-4-yl)hydrazine
CID 62252566
6-ethoxy-2-phenylpyrimidin-4-amine
CID 14242675

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[(4-methylphenyl)methoxy]-2-phenylpyrimidine?
The IUPAC name of 4-ethyl-6-[(4-methylphenyl)methoxy]-2-phenylpyrimidine (CID 95923003) is 4-ethyl-6-[(4-methylphenyl)methoxy]-2-phenylpyrimidine.
What is the SMILES notation for 4-ethyl-6-[(4-methylphenyl)methoxy]-2-phenylpyrimidine?
The canonical SMILES for 4-ethyl-6-[(4-methylphenyl)methoxy]-2-phenylpyrimidine is CCc1cc(OCc2ccc(C)cc2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-ethyl-6-[(4-methylphenyl)methoxy]-2-phenylpyrimidine?
The InChIKey is CIIKOSNAOXZQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-3-18-13-19(23-14-16-11-9-15(2)10-12-16)22-20(21-18)17-7-5-4-6-8-17/h4-13H,3,14H2,1-2H3.
What are the key properties of 4-ethyl-6-[(4-methylphenyl)methoxy]-2-phenylpyrimidine?
4-ethyl-6-[(4-methylphenyl)methoxy]-2-phenylpyrimidine has a molecular weight of 304.39 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[(4-methylphenyl)methoxy]-2-phenylpyrimidine is sourced from PubChem (CID 95923003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).