2-[[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]-methylamino]acetic acid

C19H14ClF2N3O2 — CID 58134342

IUPAC2-[[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]-methylamino]acetic acid
SMILESCN(CC(=O)O)c1cc(-c2ccc(F)cc2)nc(-c2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C19H14ClF2N3O2/c1-25(10-18(26)27)17-9-16(11-2-5-13(21)6-3-11)23-19(24-17)12-4-7-14(20)15(22)8-12/h2-9H,10H2,1H3,(H,26,27)
InChIKeyNWSYWXYLXDLTDK-UHFFFAOYSA-N
MW389.79 g/mol
LogP4.26
Rot. Bonds5

About 2-[[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]-methylamino]acetic acid

2-[[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]-methylamino]acetic acid (PubChem CID 58134342) has the molecular formula C19H14ClF2N3O2 and a molecular weight of 389.79 g/mol. Its IUPAC name is 2-[[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]-methylamino]acetic acid
PubChem CID58134342
Molecular FormulaC19H14ClF2N3O2
Molecular Weight389.79 g/mol
Exact Mass389.07
IUPAC Name2-[[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]-methylamino]acetic acid
SMILESCN(CC(=O)O)c1cc(-c2ccc(F)cc2)nc(-c2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C19H14ClF2N3O2/c1-25(10-18(26)27)17-9-16(11-2-5-13(21)6-3-11)23-19(24-17)12-4-7-14(20)15(22)8-12/h2-9H,10H2,1H3,(H,26,27)
InChIKeyNWSYWXYLXDLTDK-UHFFFAOYSA-N
XLogP4.26
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.79
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]-methylamino]acetic acid (CID 58134342) is 2-[[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]-methylamino]acetic acid is CN(CC(=O)O)c1cc(-c2ccc(F)cc2)nc(-c2ccc(Cl)c(F)c2)n1.
What is the InChIKey of 2-[[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]-methylamino]acetic acid?
The InChIKey is NWSYWXYLXDLTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2N3O2/c1-25(10-18(26)27)17-9-16(11-2-5-13(21)6-3-11)23-19(24-17)12-4-7-14(20)15(22)8-12/h2-9H,10H2,1H3,(H,26,27).
What are the key properties of 2-[[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]-methylamino]acetic acid?
2-[[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]-methylamino]acetic acid has a molecular weight of 389.79 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]-methylamino]acetic acid is sourced from PubChem (CID 58134342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).