2-[[4-(4-chloro-3-fluorophenyl)-6-phenylpyrimidin-2-yl]amino]acetic acid

C18H13ClFN3O2 — CID 58134397

IUPAC2-[[4-(4-chloro-3-fluorophenyl)-6-phenylpyrimidin-2-yl]amino]acetic acid
SMILESO=C(O)CNc1nc(-c2ccccc2)cc(-c2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C18H13ClFN3O2/c19-13-7-6-12(8-14(13)20)16-9-15(11-4-2-1-3-5-11)22-18(23-16)21-10-17(24)25/h1-9H,10H2,(H,24,25)(H,21,22,23)
InChIKeyOGXYOAXNEJKHQJ-UHFFFAOYSA-N
MW357.77 g/mol
LogP4.10
Rot. Bonds5

About 2-[[4-(4-chloro-3-fluorophenyl)-6-phenylpyrimidin-2-yl]amino]acetic acid

2-[[4-(4-chloro-3-fluorophenyl)-6-phenylpyrimidin-2-yl]amino]acetic acid (PubChem CID 58134397) has the molecular formula C18H13ClFN3O2 and a molecular weight of 357.77 g/mol. Its IUPAC name is 2-[[4-(4-chloro-3-fluorophenyl)-6-phenylpyrimidin-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(4-chloro-3-fluorophenyl)-6-phenylpyrimidin-2-yl]amino]acetic acid
PubChem CID58134397
Molecular FormulaC18H13ClFN3O2
Molecular Weight357.77 g/mol
Exact Mass357.07
IUPAC Name2-[[4-(4-chloro-3-fluorophenyl)-6-phenylpyrimidin-2-yl]amino]acetic acid
SMILESO=C(O)CNc1nc(-c2ccccc2)cc(-c2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C18H13ClFN3O2/c19-13-7-6-12(8-14(13)20)16-9-15(11-4-2-1-3-5-11)22-18(23-16)21-10-17(24)25/h1-9H,10H2,(H,24,25)(H,21,22,23)
InChIKeyOGXYOAXNEJKHQJ-UHFFFAOYSA-N
XLogP4.10
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.77
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chloro-3-fluorophenyl)-6-phenylpyrimidin-2-yl]amino]acetic acid?
The IUPAC name of 2-[[4-(4-chloro-3-fluorophenyl)-6-phenylpyrimidin-2-yl]amino]acetic acid (CID 58134397) is 2-[[4-(4-chloro-3-fluorophenyl)-6-phenylpyrimidin-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[4-(4-chloro-3-fluorophenyl)-6-phenylpyrimidin-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[4-(4-chloro-3-fluorophenyl)-6-phenylpyrimidin-2-yl]amino]acetic acid is O=C(O)CNc1nc(-c2ccccc2)cc(-c2ccc(Cl)c(F)c2)n1.
What is the InChIKey of 2-[[4-(4-chloro-3-fluorophenyl)-6-phenylpyrimidin-2-yl]amino]acetic acid?
The InChIKey is OGXYOAXNEJKHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O2/c19-13-7-6-12(8-14(13)20)16-9-15(11-4-2-1-3-5-11)22-18(23-16)21-10-17(24)25/h1-9H,10H2,(H,24,25)(H,21,22,23).
What are the key properties of 2-[[4-(4-chloro-3-fluorophenyl)-6-phenylpyrimidin-2-yl]amino]acetic acid?
2-[[4-(4-chloro-3-fluorophenyl)-6-phenylpyrimidin-2-yl]amino]acetic acid has a molecular weight of 357.77 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chloro-3-fluorophenyl)-6-phenylpyrimidin-2-yl]amino]acetic acid is sourced from PubChem (CID 58134397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).