ethyl 5-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-2-carboxylate

C19H21FN6O2 — CID 68975122

IUPACethyl 5-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(Nc2ncc(F)c(-c3cnc(C)n3C(C)C)n2)cn1
InChIInChI=1S/C19H21FN6O2/c1-5-28-18(27)15-7-6-13(8-22-15)24-19-23-9-14(20)17(25-19)16-10-21-12(4)26(16)11(2)3/h6-11H,5H2,1-4H3,(H,23,24,25)
InChIKeyAIMOYNQOLHOBIS-UHFFFAOYSA-N
MW384.42 g/mol
LogP3.68
Rot. Bonds6

About ethyl 5-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-2-carboxylate

ethyl 5-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-2-carboxylate (PubChem CID 68975122) has the molecular formula C19H21FN6O2 and a molecular weight of 384.42 g/mol. Its IUPAC name is ethyl 5-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-2-carboxylate
PubChem CID68975122
Molecular FormulaC19H21FN6O2
Molecular Weight384.42 g/mol
Exact Mass384.17
IUPAC Nameethyl 5-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(Nc2ncc(F)c(-c3cnc(C)n3C(C)C)n2)cn1
InChIInChI=1S/C19H21FN6O2/c1-5-28-18(27)15-7-6-13(8-22-15)24-19-23-9-14(20)17(25-19)16-10-21-12(4)26(16)11(2)3/h6-11H,5H2,1-4H3,(H,23,24,25)
InChIKeyAIMOYNQOLHOBIS-UHFFFAOYSA-N
XLogP3.68
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-2-carboxylate?
The IUPAC name of ethyl 5-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-2-carboxylate (CID 68975122) is ethyl 5-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-2-carboxylate?
The canonical SMILES for ethyl 5-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-2-carboxylate is CCOC(=O)c1ccc(Nc2ncc(F)c(-c3cnc(C)n3C(C)C)n2)cn1.
What is the InChIKey of ethyl 5-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-2-carboxylate?
The InChIKey is AIMOYNQOLHOBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O2/c1-5-28-18(27)15-7-6-13(8-22-15)24-19-23-9-14(20)17(25-19)16-10-21-12(4)26(16)11(2)3/h6-11H,5H2,1-4H3,(H,23,24,25).
What are the key properties of ethyl 5-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-2-carboxylate?
ethyl 5-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-2-carboxylate has a molecular weight of 384.42 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-2-carboxylate is sourced from PubChem (CID 68975122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).