(3R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-methyl-3-(2-methylpropyl)pyrrolidine-2,5-dione

C16H20N4O2 — CID 129402871

IUPAC(3R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-methyl-3-(2-methylpropyl)pyrrolidine-2,5-dione
SMILESCC(C)C[C@]1(C)CC(=O)N(Cc2cn3cccnc3n2)C1=O
InChIInChI=1S/C16H20N4O2/c1-11(2)7-16(3)8-13(21)20(14(16)22)10-12-9-19-6-4-5-17-15(19)18-12/h4-6,9,11H,7-8,10H2,1-3H3/t16-/m1/s1
InChIKeyUUYSJENHVUWIDB-MRXNPFEDSA-N
MW300.36 g/mol
LogP2.04
Rot. Bonds4

About (3R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-methyl-3-(2-methylpropyl)pyrrolidine-2,5-dione

(3R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-methyl-3-(2-methylpropyl)pyrrolidine-2,5-dione (PubChem CID 129402871) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (3R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-methyl-3-(2-methylpropyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-methyl-3-(2-methylpropyl)pyrrolidine-2,5-dione
PubChem CID129402871
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(3R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-methyl-3-(2-methylpropyl)pyrrolidine-2,5-dione
SMILESCC(C)C[C@]1(C)CC(=O)N(Cc2cn3cccnc3n2)C1=O
InChIInChI=1S/C16H20N4O2/c1-11(2)7-16(3)8-13(21)20(14(16)22)10-12-9-19-6-4-5-17-15(19)18-12/h4-6,9,11H,7-8,10H2,1-3H3/t16-/m1/s1
InChIKeyUUYSJENHVUWIDB-MRXNPFEDSA-N
XLogP2.04
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-methyl-3-(2-methylpropyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-methyl-3-(2-methylpropyl)pyrrolidine-2,5-dione (CID 129402871) is (3R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-methyl-3-(2-methylpropyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-methyl-3-(2-methylpropyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-methyl-3-(2-methylpropyl)pyrrolidine-2,5-dione is CC(C)C[C@]1(C)CC(=O)N(Cc2cn3cccnc3n2)C1=O.
What is the InChIKey of (3R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-methyl-3-(2-methylpropyl)pyrrolidine-2,5-dione?
The InChIKey is UUYSJENHVUWIDB-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11(2)7-16(3)8-13(21)20(14(16)22)10-12-9-19-6-4-5-17-15(19)18-12/h4-6,9,11H,7-8,10H2,1-3H3/t16-/m1/s1.
What are the key properties of (3R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-methyl-3-(2-methylpropyl)pyrrolidine-2,5-dione?
(3R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-methyl-3-(2-methylpropyl)pyrrolidine-2,5-dione has a molecular weight of 300.36 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-methyl-3-(2-methylpropyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 129402871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).