5-[(4-chloro-2-fluorophenyl)methyl]-4-ethyl-6-methoxy-2-methylpyrimidine

C15H16ClFN2O — CID 142395310

IUPAC5-[(4-chloro-2-fluorophenyl)methyl]-4-ethyl-6-methoxy-2-methylpyrimidine
SMILESCCc1nc(C)nc(OC)c1Cc1ccc(Cl)cc1F
InChIInChI=1S/C15H16ClFN2O/c1-4-14-12(15(20-3)19-9(2)18-14)7-10-5-6-11(16)8-13(10)17/h5-6,8H,4,7H2,1-3H3
InChIKeyJRNCFNPKJRAWQA-UHFFFAOYSA-N
MW294.76 g/mol
LogP3.74
Rot. Bonds4

About 5-[(4-chloro-2-fluorophenyl)methyl]-4-ethyl-6-methoxy-2-methylpyrimidine

5-[(4-chloro-2-fluorophenyl)methyl]-4-ethyl-6-methoxy-2-methylpyrimidine (PubChem CID 142395310) has the molecular formula C15H16ClFN2O and a molecular weight of 294.76 g/mol. Its IUPAC name is 5-[(4-chloro-2-fluorophenyl)methyl]-4-ethyl-6-methoxy-2-methylpyrimidine.

Molecular Properties

Compound Name5-[(4-chloro-2-fluorophenyl)methyl]-4-ethyl-6-methoxy-2-methylpyrimidine
PubChem CID142395310
Molecular FormulaC15H16ClFN2O
Molecular Weight294.76 g/mol
Exact Mass294.09
IUPAC Name5-[(4-chloro-2-fluorophenyl)methyl]-4-ethyl-6-methoxy-2-methylpyrimidine
SMILESCCc1nc(C)nc(OC)c1Cc1ccc(Cl)cc1F
InChIInChI=1S/C15H16ClFN2O/c1-4-14-12(15(20-3)19-9(2)18-14)7-10-5-6-11(16)8-13(10)17/h5-6,8H,4,7H2,1-3H3
InChIKeyJRNCFNPKJRAWQA-UHFFFAOYSA-N
XLogP3.74
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[(4-chloro-2-fluorophenyl)methyl]-4-ethyl-6-methoxy-2-methylpyrimidine 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-chloro-2-methoxyphenyl)-4-ethyl-N-methyl-1,3-thiazol-5-amine
CID 134315658
4-chloro-2-[(2,4-difluorophenyl)methyl]-6-ethyl-5-methylpyrimidine
CID 64559256
5-[(2,4-dichlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 3779331
4-chloro-1-[(4-ethylphenoxy)methyl]-2-fluorobenzene
CID 114860237
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine
CID 103374657
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 114855165
2-(4-chloro-2-fluorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-methylethanamine
CID 107503685
3-[5-chloro-2-(chloromethyl)phenoxy]-2-ethyl-6-methylpyridine
CID 103175228
5-(2,4-dichlorophenyl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine
CID 22249149
4-chloro-1-(2-ethyl-2-methylbutyl)-2-fluorobenzene
CID 70931596
1-(5-chloro-2-ethylphenyl)-N-methoxymethanamine
CID 117288951
5-(2,4-dichlorophenyl)-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine
CID 23068426

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-2-fluorophenyl)methyl]-4-ethyl-6-methoxy-2-methylpyrimidine?
The IUPAC name of 5-[(4-chloro-2-fluorophenyl)methyl]-4-ethyl-6-methoxy-2-methylpyrimidine (CID 142395310) is 5-[(4-chloro-2-fluorophenyl)methyl]-4-ethyl-6-methoxy-2-methylpyrimidine.
What is the SMILES notation for 5-[(4-chloro-2-fluorophenyl)methyl]-4-ethyl-6-methoxy-2-methylpyrimidine?
The canonical SMILES for 5-[(4-chloro-2-fluorophenyl)methyl]-4-ethyl-6-methoxy-2-methylpyrimidine is CCc1nc(C)nc(OC)c1Cc1ccc(Cl)cc1F.
What is the InChIKey of 5-[(4-chloro-2-fluorophenyl)methyl]-4-ethyl-6-methoxy-2-methylpyrimidine?
The InChIKey is JRNCFNPKJRAWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O/c1-4-14-12(15(20-3)19-9(2)18-14)7-10-5-6-11(16)8-13(10)17/h5-6,8H,4,7H2,1-3H3.
What are the key properties of 5-[(4-chloro-2-fluorophenyl)methyl]-4-ethyl-6-methoxy-2-methylpyrimidine?
5-[(4-chloro-2-fluorophenyl)methyl]-4-ethyl-6-methoxy-2-methylpyrimidine has a molecular weight of 294.76 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-2-fluorophenyl)methyl]-4-ethyl-6-methoxy-2-methylpyrimidine is sourced from PubChem (CID 142395310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).