5-(3-chloro-4-phenylmethoxyphenyl)-4-phenylpyrimidin-2-amine

C23H18ClN3O — CID 134154545

IUPAC5-(3-chloro-4-phenylmethoxyphenyl)-4-phenylpyrimidin-2-amine
SMILESNc1ncc(-c2ccc(OCc3ccccc3)c(Cl)c2)c(-c2ccccc2)n1
InChIInChI=1S/C23H18ClN3O/c24-20-13-18(11-12-21(20)28-15-16-7-3-1-4-8-16)19-14-26-23(25)27-22(19)17-9-5-2-6-10-17/h1-14H,15H2,(H2,25,26,27)
InChIKeyFOHVKECDRBSOCJ-UHFFFAOYSA-N
MW387.87 g/mol
LogP5.63
Rot. Bonds5

About 5-(3-chloro-4-phenylmethoxyphenyl)-4-phenylpyrimidin-2-amine

5-(3-chloro-4-phenylmethoxyphenyl)-4-phenylpyrimidin-2-amine (PubChem CID 134154545) has the molecular formula C23H18ClN3O and a molecular weight of 387.87 g/mol. Its IUPAC name is 5-(3-chloro-4-phenylmethoxyphenyl)-4-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(3-chloro-4-phenylmethoxyphenyl)-4-phenylpyrimidin-2-amine
PubChem CID134154545
Molecular FormulaC23H18ClN3O
Molecular Weight387.87 g/mol
Exact Mass387.11
IUPAC Name5-(3-chloro-4-phenylmethoxyphenyl)-4-phenylpyrimidin-2-amine
SMILESNc1ncc(-c2ccc(OCc3ccccc3)c(Cl)c2)c(-c2ccccc2)n1
InChIInChI=1S/C23H18ClN3O/c24-20-13-18(11-12-21(20)28-15-16-7-3-1-4-8-16)19-14-26-23(25)27-22(19)17-9-5-2-6-10-17/h1-14H,15H2,(H2,25,26,27)
InChIKeyFOHVKECDRBSOCJ-UHFFFAOYSA-N
XLogP5.63
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.87
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-phenylmethoxyphenyl)-4-phenylpyrimidin-2-amine?
The IUPAC name of 5-(3-chloro-4-phenylmethoxyphenyl)-4-phenylpyrimidin-2-amine (CID 134154545) is 5-(3-chloro-4-phenylmethoxyphenyl)-4-phenylpyrimidin-2-amine.
What is the SMILES notation for 5-(3-chloro-4-phenylmethoxyphenyl)-4-phenylpyrimidin-2-amine?
The canonical SMILES for 5-(3-chloro-4-phenylmethoxyphenyl)-4-phenylpyrimidin-2-amine is Nc1ncc(-c2ccc(OCc3ccccc3)c(Cl)c2)c(-c2ccccc2)n1.
What is the InChIKey of 5-(3-chloro-4-phenylmethoxyphenyl)-4-phenylpyrimidin-2-amine?
The InChIKey is FOHVKECDRBSOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O/c24-20-13-18(11-12-21(20)28-15-16-7-3-1-4-8-16)19-14-26-23(25)27-22(19)17-9-5-2-6-10-17/h1-14H,15H2,(H2,25,26,27).
What are the key properties of 5-(3-chloro-4-phenylmethoxyphenyl)-4-phenylpyrimidin-2-amine?
5-(3-chloro-4-phenylmethoxyphenyl)-4-phenylpyrimidin-2-amine has a molecular weight of 387.87 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-phenylmethoxyphenyl)-4-phenylpyrimidin-2-amine is sourced from PubChem (CID 134154545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).