4-chloro-2-[2-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol

C23H19Cl2FN2O2 — CID 4606932

IUPAC4-chloro-2-[2-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol
SMILESCOc1ccc(C2=CC(c3cc(Cl)ccc3O)NC(c3c(F)cccc3Cl)N2)cc1
InChIInChI=1S/C23H19Cl2FN2O2/c1-30-15-8-5-13(6-9-15)19-12-20(16-11-14(24)7-10-21(16)29)28-23(27-19)22-17(25)3-2-4-18(22)26/h2-12,20,23,27-29H,1H3
InChIKeyFEQZUWINSWNHNV-UHFFFAOYSA-N
MW445.32 g/mol
LogP5.82
Rot. Bonds4

About 4-chloro-2-[2-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol

4-chloro-2-[2-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol (PubChem CID 4606932) has the molecular formula C23H19Cl2FN2O2 and a molecular weight of 445.32 g/mol. Its IUPAC name is 4-chloro-2-[2-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol.

Molecular Properties

Compound Name4-chloro-2-[2-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol
PubChem CID4606932
Molecular FormulaC23H19Cl2FN2O2
Molecular Weight445.32 g/mol
Exact Mass444.08
IUPAC Name4-chloro-2-[2-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol
SMILESCOc1ccc(C2=CC(c3cc(Cl)ccc3O)NC(c3c(F)cccc3Cl)N2)cc1
InChIInChI=1S/C23H19Cl2FN2O2/c1-30-15-8-5-13(6-9-15)19-12-20(16-11-14(24)7-10-21(16)29)28-23(27-19)22-17(25)3-2-4-18(22)26/h2-12,20,23,27-29H,1H3
InChIKeyFEQZUWINSWNHNV-UHFFFAOYSA-N
XLogP5.82
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.32
LogP ≤ 55.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 4-chloro-2-[2-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 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

4-chloro-2-[2-(3-chlorophenyl)-6-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol
CID 3554639
2-[6-(3-bromophenyl)-2-(2,4-dichlorophenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]-4-chlorophenol
CID 5199823
methyl 4-[6-(3-bromophenyl)-4-(5-chloro-2-hydroxyphenyl)-1,2,3,4-tetrahydropyrimidin-2-yl]benzoate
CID 3253215
2-[2-(3-chlorophenyl)-6-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol
CID 4603809
2-[2-(2-chloro-6-fluorophenyl)-4-(4-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]phenol
CID 20970449
2-[6-(4-chlorophenyl)-2-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol
CID 4660351
3-chloro-2-(4-methoxyphenyl)phenol
CID 101453528
4-chloro-2-[(2S,6R)-2-(2-fluorophenyl)-4-(4-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]phenol
CID 92698221
4-bromo-2-[2-(4-bromophenyl)-6-(4-ethoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol
CID 4522362
4-chloro-2-[(2R,6R)-2-(2-chlorophenyl)-4-(4-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]phenol
CID 92697920
2-[6-(4-chlorophenyl)-2-(3-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]-6-ethoxyphenol
CID 3435694
2-ethoxy-6-[2-(2-fluorophenyl)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol
CID 5073441

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol?
The IUPAC name of 4-chloro-2-[2-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol (CID 4606932) is 4-chloro-2-[2-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol.
What is the SMILES notation for 4-chloro-2-[2-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol?
The canonical SMILES for 4-chloro-2-[2-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol is COc1ccc(C2=CC(c3cc(Cl)ccc3O)NC(c3c(F)cccc3Cl)N2)cc1.
What is the InChIKey of 4-chloro-2-[2-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol?
The InChIKey is FEQZUWINSWNHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2FN2O2/c1-30-15-8-5-13(6-9-15)19-12-20(16-11-14(24)7-10-21(16)29)28-23(27-19)22-17(25)3-2-4-18(22)26/h2-12,20,23,27-29H,1H3.
What are the key properties of 4-chloro-2-[2-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol?
4-chloro-2-[2-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol has a molecular weight of 445.32 g/mol, XLogP of 5.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol is sourced from PubChem (CID 4606932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).