4-(4-chloro-2-fluorophenyl)-2-[4-(dimethoxymethyl)phenyl]pyrimidine

C19H16ClFN2O2 — CID 102444240

IUPAC4-(4-chloro-2-fluorophenyl)-2-[4-(dimethoxymethyl)phenyl]pyrimidine
SMILESCOC(OC)c1ccc(-c2nccc(-c3ccc(Cl)cc3F)n2)cc1
InChIInChI=1S/C19H16ClFN2O2/c1-24-19(25-2)13-5-3-12(4-6-13)18-22-10-9-17(23-18)15-8-7-14(20)11-16(15)21/h3-11,19H,1-2H3
InChIKeyRMGUXHIBBQCKIH-UHFFFAOYSA-N
MW358.80 g/mol
LogP4.89
Rot. Bonds5

About 4-(4-chloro-2-fluorophenyl)-2-[4-(dimethoxymethyl)phenyl]pyrimidine

4-(4-chloro-2-fluorophenyl)-2-[4-(dimethoxymethyl)phenyl]pyrimidine (PubChem CID 102444240) has the molecular formula C19H16ClFN2O2 and a molecular weight of 358.80 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenyl)-2-[4-(dimethoxymethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenyl)-2-[4-(dimethoxymethyl)phenyl]pyrimidine
PubChem CID102444240
Molecular FormulaC19H16ClFN2O2
Molecular Weight358.80 g/mol
Exact Mass358.09
IUPAC Name4-(4-chloro-2-fluorophenyl)-2-[4-(dimethoxymethyl)phenyl]pyrimidine
SMILESCOC(OC)c1ccc(-c2nccc(-c3ccc(Cl)cc3F)n2)cc1
InChIInChI=1S/C19H16ClFN2O2/c1-24-19(25-2)13-5-3-12(4-6-13)18-22-10-9-17(23-18)15-8-7-14(20)11-16(15)21/h3-11,19H,1-2H3
InChIKeyRMGUXHIBBQCKIH-UHFFFAOYSA-N
XLogP4.89
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.80
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-(4-Chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(4-fluorophenyl)methoxy]pyrimidine
CID 9955875
2-(4-Fluorobenzyloxy)-4-(4-chloro-phenyl)-5-(2,4-dichlorophenyl)pyrimidine
CID 10321988
2-(alpha-Methyl-4-fluorobenzyloxy-)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)pyrimidine
CID 10344804
2-(alpha-Methyl-4-fluorobenzyloxy)-4-(2,4-dichlorophenyl)-5-(4-chlorophenyl)pyrimidine
CID 10480002
5-Ethyl-4-fluoro-2-[4-[4-(5-pentyl-1,3-dioxan-2-yl)phenyl]phenyl]pyrimidine
CID 20162192
4-Fluoro-5-pentyl-2-[4-[4-(5-pentyl-1,3-dioxan-2-yl)phenyl]phenyl]pyrimidine
CID 20162577
5-Butyl-4-fluoro-2-[4-[4-(5-pentyl-1,3-dioxan-2-yl)phenyl]phenyl]pyrimidine
CID 20162600
4-Fluoro-2-[4-[4-(5-pentyl-1,3-dioxan-2-yl)phenyl]phenyl]-5-propylpyrimidine
CID 20162669
N-[(6-chloro-3-pyridinyl)methyl]-5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-amine
CID 57818752
N-[(4-chlorophenyl)methyl]-5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-amine
CID 57818791
N-[(4-chlorophenyl)methyl]-5-fluoro-2-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-4-amine
CID 57818875
2-[(4-chlorophenyl)methoxy]-5-fluoro-N-[(4-methylphenyl)methyl]pyrimidin-4-amine
CID 57819068

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenyl)-2-[4-(dimethoxymethyl)phenyl]pyrimidine?
The IUPAC name of 4-(4-chloro-2-fluorophenyl)-2-[4-(dimethoxymethyl)phenyl]pyrimidine (CID 102444240) is 4-(4-chloro-2-fluorophenyl)-2-[4-(dimethoxymethyl)phenyl]pyrimidine.
What is the SMILES notation for 4-(4-chloro-2-fluorophenyl)-2-[4-(dimethoxymethyl)phenyl]pyrimidine?
The canonical SMILES for 4-(4-chloro-2-fluorophenyl)-2-[4-(dimethoxymethyl)phenyl]pyrimidine is COC(OC)c1ccc(-c2nccc(-c3ccc(Cl)cc3F)n2)cc1.
What is the InChIKey of 4-(4-chloro-2-fluorophenyl)-2-[4-(dimethoxymethyl)phenyl]pyrimidine?
The InChIKey is RMGUXHIBBQCKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O2/c1-24-19(25-2)13-5-3-12(4-6-13)18-22-10-9-17(23-18)15-8-7-14(20)11-16(15)21/h3-11,19H,1-2H3.
What are the key properties of 4-(4-chloro-2-fluorophenyl)-2-[4-(dimethoxymethyl)phenyl]pyrimidine?
4-(4-chloro-2-fluorophenyl)-2-[4-(dimethoxymethyl)phenyl]pyrimidine has a molecular weight of 358.80 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluorophenyl)-2-[4-(dimethoxymethyl)phenyl]pyrimidine is sourced from PubChem (CID 102444240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).