3-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione

C18H21N5O2 — CID 133345058

IUPAC3-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCCc1cc(NC2CC(=O)N(C(C)C)C2=O)nc(-c2ccncc2)n1
InChIInChI=1S/C18H21N5O2/c1-4-13-9-15(22-17(20-13)12-5-7-19-8-6-12)21-14-10-16(24)23(11(2)3)18(14)25/h5-9,11,14H,4,10H2,1-3H3,(H,20,21,22)
InChIKeyFEGDMXVQYPABEH-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.05
Rot. Bonds5

About 3-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione

3-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 133345058) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
PubChem CID133345058
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name3-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCCc1cc(NC2CC(=O)N(C(C)C)C2=O)nc(-c2ccncc2)n1
InChIInChI=1S/C18H21N5O2/c1-4-13-9-15(22-17(20-13)12-5-7-19-8-6-12)21-14-10-16(24)23(11(2)3)18(14)25/h5-9,11,14H,4,10H2,1-3H3,(H,20,21,22)
InChIKeyFEGDMXVQYPABEH-UHFFFAOYSA-N
XLogP2.05
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione (CID 133345058) is 3-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione is CCc1cc(NC2CC(=O)N(C(C)C)C2=O)nc(-c2ccncc2)n1.
What is the InChIKey of 3-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is FEGDMXVQYPABEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-4-13-9-15(22-17(20-13)12-5-7-19-8-6-12)21-14-10-16(24)23(11(2)3)18(14)25/h5-9,11,14H,4,10H2,1-3H3,(H,20,21,22).
What are the key properties of 3-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione?
3-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 339.40 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 133345058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).