ethyl 2-(6-amino-5-propylpyrimidin-4-yl)-2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]acetate

C19H21FN6O2 — CID 59646811

IUPACethyl 2-(6-amino-5-propylpyrimidin-4-yl)-2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]acetate
SMILESCCCc1c(N)ncnc1C(C(=O)OCC)c1ccnn1-c1ncccc1F
InChIInChI=1S/C19H21FN6O2/c1-3-6-12-16(23-11-24-17(12)21)15(19(27)28-4-2)14-8-10-25-26(14)18-13(20)7-5-9-22-18/h5,7-11,15H,3-4,6H2,1-2H3,(H2,21,23,24)
InChIKeyZOPCRRCVXUMIDU-UHFFFAOYSA-N
MW384.42 g/mol
LogP2.43
Rot. Bonds7

About ethyl 2-(6-amino-5-propylpyrimidin-4-yl)-2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]acetate

ethyl 2-(6-amino-5-propylpyrimidin-4-yl)-2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]acetate (PubChem CID 59646811) has the molecular formula C19H21FN6O2 and a molecular weight of 384.42 g/mol. Its IUPAC name is ethyl 2-(6-amino-5-propylpyrimidin-4-yl)-2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-(6-amino-5-propylpyrimidin-4-yl)-2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]acetate
PubChem CID59646811
Molecular FormulaC19H21FN6O2
Molecular Weight384.42 g/mol
Exact Mass384.17
IUPAC Nameethyl 2-(6-amino-5-propylpyrimidin-4-yl)-2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]acetate
SMILESCCCc1c(N)ncnc1C(C(=O)OCC)c1ccnn1-c1ncccc1F
InChIInChI=1S/C19H21FN6O2/c1-3-6-12-16(23-11-24-17(12)21)15(19(27)28-4-2)14-8-10-25-26(14)18-13(20)7-5-9-22-18/h5,7-11,15H,3-4,6H2,1-2H3,(H2,21,23,24)
InChIKeyZOPCRRCVXUMIDU-UHFFFAOYSA-N
XLogP2.43
TPSA108.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-amino-5-propylpyrimidin-4-yl)-2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]acetate?
The IUPAC name of ethyl 2-(6-amino-5-propylpyrimidin-4-yl)-2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]acetate (CID 59646811) is ethyl 2-(6-amino-5-propylpyrimidin-4-yl)-2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]acetate.
What is the SMILES notation for ethyl 2-(6-amino-5-propylpyrimidin-4-yl)-2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]acetate?
The canonical SMILES for ethyl 2-(6-amino-5-propylpyrimidin-4-yl)-2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]acetate is CCCc1c(N)ncnc1C(C(=O)OCC)c1ccnn1-c1ncccc1F.
What is the InChIKey of ethyl 2-(6-amino-5-propylpyrimidin-4-yl)-2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]acetate?
The InChIKey is ZOPCRRCVXUMIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O2/c1-3-6-12-16(23-11-24-17(12)21)15(19(27)28-4-2)14-8-10-25-26(14)18-13(20)7-5-9-22-18/h5,7-11,15H,3-4,6H2,1-2H3,(H2,21,23,24).
What are the key properties of ethyl 2-(6-amino-5-propylpyrimidin-4-yl)-2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]acetate?
ethyl 2-(6-amino-5-propylpyrimidin-4-yl)-2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]acetate has a molecular weight of 384.42 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-amino-5-propylpyrimidin-4-yl)-2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]acetate is sourced from PubChem (CID 59646811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).