1-methyl-3-[[2-(methylamino)pyrimidin-4-yl]amino]pyrrolidine-2,5-dione

C10H13N5O2 — CID 80856368

IUPAC1-methyl-3-[[2-(methylamino)pyrimidin-4-yl]amino]pyrrolidine-2,5-dione
SMILESCNc1nccc(NC2CC(=O)N(C)C2=O)n1
InChIInChI=1S/C10H13N5O2/c1-11-10-12-4-3-7(14-10)13-6-5-8(16)15(2)9(6)17/h3-4,6H,5H2,1-2H3,(H2,11,12,13,14)
InChIKeyKTCMYKDNWHHWGD-UHFFFAOYSA-N
MW235.25 g/mol
LogP-0.31
Rot. Bonds3

About 1-methyl-3-[[2-(methylamino)pyrimidin-4-yl]amino]pyrrolidine-2,5-dione

1-methyl-3-[[2-(methylamino)pyrimidin-4-yl]amino]pyrrolidine-2,5-dione (PubChem CID 80856368) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 1-methyl-3-[[2-(methylamino)pyrimidin-4-yl]amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-[[2-(methylamino)pyrimidin-4-yl]amino]pyrrolidine-2,5-dione
PubChem CID80856368
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name1-methyl-3-[[2-(methylamino)pyrimidin-4-yl]amino]pyrrolidine-2,5-dione
SMILESCNc1nccc(NC2CC(=O)N(C)C2=O)n1
InChIInChI=1S/C10H13N5O2/c1-11-10-12-4-3-7(14-10)13-6-5-8(16)15(2)9(6)17/h3-4,6H,5H2,1-2H3,(H2,11,12,13,14)
InChIKeyKTCMYKDNWHHWGD-UHFFFAOYSA-N
XLogP-0.31
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
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 1-methyl-3-[[2-(methylamino)pyrimidin-4-yl]amino]pyrrolidine-2,5-dione?
The IUPAC name of 1-methyl-3-[[2-(methylamino)pyrimidin-4-yl]amino]pyrrolidine-2,5-dione (CID 80856368) is 1-methyl-3-[[2-(methylamino)pyrimidin-4-yl]amino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-methyl-3-[[2-(methylamino)pyrimidin-4-yl]amino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-methyl-3-[[2-(methylamino)pyrimidin-4-yl]amino]pyrrolidine-2,5-dione is CNc1nccc(NC2CC(=O)N(C)C2=O)n1.
What is the InChIKey of 1-methyl-3-[[2-(methylamino)pyrimidin-4-yl]amino]pyrrolidine-2,5-dione?
The InChIKey is KTCMYKDNWHHWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-11-10-12-4-3-7(14-10)13-6-5-8(16)15(2)9(6)17/h3-4,6H,5H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 1-methyl-3-[[2-(methylamino)pyrimidin-4-yl]amino]pyrrolidine-2,5-dione?
1-methyl-3-[[2-(methylamino)pyrimidin-4-yl]amino]pyrrolidine-2,5-dione has a molecular weight of 235.25 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[2-(methylamino)pyrimidin-4-yl]amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 80856368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).