3-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidine-2,5-dione

C14H19N5O2 — CID 80959483

IUPAC3-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidine-2,5-dione
SMILESCCNc1cc(NC2CC(=O)N(C)C2=O)nc(C2CC2)n1
InChIInChI=1S/C14H19N5O2/c1-3-15-10-7-11(18-13(17-10)8-4-5-8)16-9-6-12(20)19(2)14(9)21/h7-9H,3-6H2,1-2H3,(H2,15,16,17,18)
InChIKeyVXYGQGDWTKVOTL-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.95
Rot. Bonds5

About 3-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidine-2,5-dione

3-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidine-2,5-dione (PubChem CID 80959483) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidine-2,5-dione
PubChem CID80959483
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name3-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidine-2,5-dione
SMILESCCNc1cc(NC2CC(=O)N(C)C2=O)nc(C2CC2)n1
InChIInChI=1S/C14H19N5O2/c1-3-15-10-7-11(18-13(17-10)8-4-5-8)16-9-6-12(20)19(2)14(9)21/h7-9H,3-6H2,1-2H3,(H2,15,16,17,18)
InChIKeyVXYGQGDWTKVOTL-UHFFFAOYSA-N
XLogP0.95
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[[6-(ethylamino)-2-pyridinyl]amino]-1-methylpyrrolidine-2,5-dione
CID 80856588
3-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-1-methylpyrrolidine-2,5-dione
CID 80831659
2-cyclopropyl-6-N-ethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80968126
2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
CID 106343137
1-methyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pyrrolidine-2,5-dione
CID 136956871
2-cyclopropyl-4-N-(1,1-dioxothian-4-yl)-6-N-ethylpyrimidine-4,6-diamine
CID 80960820
3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
CID 106258583
3-[[6-(ethylamino)pyrazin-2-yl]amino]-1-methylpiperidine-2,6-dione
CID 80855845
2-cyclopropyl-6-N-ethyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80955815
1-methyl-3-[[2-(methylamino)pyrimidin-4-yl]amino]pyrrolidine-2,5-dione
CID 80856368
3-[(5-tert-butyl-2-pyridinyl)amino]-1-methylpyrrolidine-2,5-dione
CID 107874760
2-cyclopropyl-6-N-ethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine
CID 81173604

Frequently Asked Questions

What is the IUPAC name of 3-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidine-2,5-dione (CID 80959483) is 3-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidine-2,5-dione is CCNc1cc(NC2CC(=O)N(C)C2=O)nc(C2CC2)n1.
What is the InChIKey of 3-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidine-2,5-dione?
The InChIKey is VXYGQGDWTKVOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-3-15-10-7-11(18-13(17-10)8-4-5-8)16-9-6-12(20)19(2)14(9)21/h7-9H,3-6H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 3-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidine-2,5-dione?
3-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidine-2,5-dione has a molecular weight of 289.34 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 80959483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).