2-[2-(4-chloro-3,5-dimethylphenoxy)-6-fluorophenyl]-1,4,5,6-tetrahydropyrimidine

C18H18ClFN2O — CID 82240421

IUPAC2-[2-(4-chloro-3,5-dimethylphenoxy)-6-fluorophenyl]-1,4,5,6-tetrahydropyrimidine
SMILESCc1cc(Oc2cccc(F)c2C2=NCCCN2)cc(C)c1Cl
InChIInChI=1S/C18H18ClFN2O/c1-11-9-13(10-12(2)17(11)19)23-15-6-3-5-14(20)16(15)18-21-7-4-8-22-18/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,21,22)
InChIKeyZUVUXOLVFJSNJB-UHFFFAOYSA-N
MW332.81 g/mol
LogP4.63
Rot. Bonds3

About 2-[2-(4-chloro-3,5-dimethylphenoxy)-6-fluorophenyl]-1,4,5,6-tetrahydropyrimidine

2-[2-(4-chloro-3,5-dimethylphenoxy)-6-fluorophenyl]-1,4,5,6-tetrahydropyrimidine (PubChem CID 82240421) has the molecular formula C18H18ClFN2O and a molecular weight of 332.81 g/mol. Its IUPAC name is 2-[2-(4-chloro-3,5-dimethylphenoxy)-6-fluorophenyl]-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-[2-(4-chloro-3,5-dimethylphenoxy)-6-fluorophenyl]-1,4,5,6-tetrahydropyrimidine
PubChem CID82240421
Molecular FormulaC18H18ClFN2O
Molecular Weight332.81 g/mol
Exact Mass332.11
IUPAC Name2-[2-(4-chloro-3,5-dimethylphenoxy)-6-fluorophenyl]-1,4,5,6-tetrahydropyrimidine
SMILESCc1cc(Oc2cccc(F)c2C2=NCCCN2)cc(C)c1Cl
InChIInChI=1S/C18H18ClFN2O/c1-11-9-13(10-12(2)17(11)19)23-15-6-3-5-14(20)16(15)18-21-7-4-8-22-18/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,21,22)
InChIKeyZUVUXOLVFJSNJB-UHFFFAOYSA-N
XLogP4.63
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(4-chloro-3,5-dimethylphenoxy)-6-fluorophenyl]-1,4,5,6-tetrahydropyrimidine 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-(2-fluoro-6-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine
CID 82241523
2-[2-fluoro-6-[(2-methylpropan-2-yl)oxy]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82244851
2-[2-fluoro-6-(5-methyl-2-propan-2-ylphenoxy)phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82240269
2-[3-fluoro-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]-N,N-dimethylacetamide
CID 82248895
2-[2-fluoro-6-[(4-methoxyphenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82239954
2-[2-fluoro-6-[(1-methylimidazol-2-yl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82250230
2-(5-fluoro-2-methylphenyl)-1,4,5,6-tetrahydropyrimidine
CID 126982364
2-[4-(3-bromophenoxy)-3-fluorophenyl]-1,4,5,6-tetrahydropyrimidine
CID 82252902
N-[3-fluoro-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-N',N'-dimethylpropane-1,3-diamine
CID 82248809
3-[2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluorophenoxy]-N,N-dimethylpropan-1-amine
CID 82246799
2-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine
CID 82252897
2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine
CID 82252898

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloro-3,5-dimethylphenoxy)-6-fluorophenyl]-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-[2-(4-chloro-3,5-dimethylphenoxy)-6-fluorophenyl]-1,4,5,6-tetrahydropyrimidine (CID 82240421) is 2-[2-(4-chloro-3,5-dimethylphenoxy)-6-fluorophenyl]-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-[2-(4-chloro-3,5-dimethylphenoxy)-6-fluorophenyl]-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-[2-(4-chloro-3,5-dimethylphenoxy)-6-fluorophenyl]-1,4,5,6-tetrahydropyrimidine is Cc1cc(Oc2cccc(F)c2C2=NCCCN2)cc(C)c1Cl.
What is the InChIKey of 2-[2-(4-chloro-3,5-dimethylphenoxy)-6-fluorophenyl]-1,4,5,6-tetrahydropyrimidine?
The InChIKey is ZUVUXOLVFJSNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O/c1-11-9-13(10-12(2)17(11)19)23-15-6-3-5-14(20)16(15)18-21-7-4-8-22-18/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,21,22).
What are the key properties of 2-[2-(4-chloro-3,5-dimethylphenoxy)-6-fluorophenyl]-1,4,5,6-tetrahydropyrimidine?
2-[2-(4-chloro-3,5-dimethylphenoxy)-6-fluorophenyl]-1,4,5,6-tetrahydropyrimidine has a molecular weight of 332.81 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloro-3,5-dimethylphenoxy)-6-fluorophenyl]-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 82240421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).