1-[(4,6-dimethylpyrimidin-2-yl)amino]pyrrole-2,5-dione

C10H10N4O2 — CID 2028070

IUPAC1-[(4,6-dimethylpyrimidin-2-yl)amino]pyrrole-2,5-dione
SMILESCc1cc(C)nc(NN2C(=O)C=CC2=O)n1
InChIInChI=1S/C10H10N4O2/c1-6-5-7(2)12-10(11-6)13-14-8(15)3-4-9(14)16/h3-5H,1-2H3,(H,11,12,13)
InChIKeyBMVFUPMFDXZCPE-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.35
Rot. Bonds2

About 1-[(4,6-dimethylpyrimidin-2-yl)amino]pyrrole-2,5-dione

1-[(4,6-dimethylpyrimidin-2-yl)amino]pyrrole-2,5-dione (PubChem CID 2028070) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 1-[(4,6-dimethylpyrimidin-2-yl)amino]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(4,6-dimethylpyrimidin-2-yl)amino]pyrrole-2,5-dione
PubChem CID2028070
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name1-[(4,6-dimethylpyrimidin-2-yl)amino]pyrrole-2,5-dione
SMILESCc1cc(C)nc(NN2C(=O)C=CC2=O)n1
InChIInChI=1S/C10H10N4O2/c1-6-5-7(2)12-10(11-6)13-14-8(15)3-4-9(14)16/h3-5H,1-2H3,(H,11,12,13)
InChIKeyBMVFUPMFDXZCPE-UHFFFAOYSA-N
XLogP0.35
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.35
H-Bond Donors ≤ 51
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 1-[(4,6-dimethylpyrimidin-2-yl)amino]pyrrole-2,5-dione?
The IUPAC name of 1-[(4,6-dimethylpyrimidin-2-yl)amino]pyrrole-2,5-dione (CID 2028070) is 1-[(4,6-dimethylpyrimidin-2-yl)amino]pyrrole-2,5-dione.
What is the SMILES notation for 1-[(4,6-dimethylpyrimidin-2-yl)amino]pyrrole-2,5-dione?
The canonical SMILES for 1-[(4,6-dimethylpyrimidin-2-yl)amino]pyrrole-2,5-dione is Cc1cc(C)nc(NN2C(=O)C=CC2=O)n1.
What is the InChIKey of 1-[(4,6-dimethylpyrimidin-2-yl)amino]pyrrole-2,5-dione?
The InChIKey is BMVFUPMFDXZCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-6-5-7(2)12-10(11-6)13-14-8(15)3-4-9(14)16/h3-5H,1-2H3,(H,11,12,13).
What are the key properties of 1-[(4,6-dimethylpyrimidin-2-yl)amino]pyrrole-2,5-dione?
1-[(4,6-dimethylpyrimidin-2-yl)amino]pyrrole-2,5-dione has a molecular weight of 218.22 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,6-dimethylpyrimidin-2-yl)amino]pyrrole-2,5-dione is sourced from PubChem (CID 2028070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).