1-[3-[[6-(difluoromethyl)pyrimidin-4-yl]amino]propyl]pyrrolidine-2,5-dione

C12H14F2N4O2 — CID 136568946

IUPAC1-[3-[[6-(difluoromethyl)pyrimidin-4-yl]amino]propyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCCNc1cc(C(F)F)ncn1
InChIInChI=1S/C12H14F2N4O2/c13-12(14)8-6-9(17-7-16-8)15-4-1-5-18-10(19)2-3-11(18)20/h6-7,12H,1-5H2,(H,15,16,17)
InChIKeyFXYHWJOJXHWXNO-UHFFFAOYSA-N
MW284.27 g/mol
LogP1.37
Rot. Bonds6

About 1-[3-[[6-(difluoromethyl)pyrimidin-4-yl]amino]propyl]pyrrolidine-2,5-dione

1-[3-[[6-(difluoromethyl)pyrimidin-4-yl]amino]propyl]pyrrolidine-2,5-dione (PubChem CID 136568946) has the molecular formula C12H14F2N4O2 and a molecular weight of 284.27 g/mol. Its IUPAC name is 1-[3-[[6-(difluoromethyl)pyrimidin-4-yl]amino]propyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-[[6-(difluoromethyl)pyrimidin-4-yl]amino]propyl]pyrrolidine-2,5-dione
PubChem CID136568946
Molecular FormulaC12H14F2N4O2
Molecular Weight284.27 g/mol
Exact Mass284.11
IUPAC Name1-[3-[[6-(difluoromethyl)pyrimidin-4-yl]amino]propyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCCNc1cc(C(F)F)ncn1
InChIInChI=1S/C12H14F2N4O2/c13-12(14)8-6-9(17-7-16-8)15-4-1-5-18-10(19)2-3-11(18)20/h6-7,12H,1-5H2,(H,15,16,17)
InChIKeyFXYHWJOJXHWXNO-UHFFFAOYSA-N
XLogP1.37
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(difluoromethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-amine
CID 138030384
1-[3-[(5-chloropyrazin-2-yl)amino]propyl]pyrrolidine-2,5-dione
CID 136571690
N-tert-butyl-6-(difluoromethyl)pyrimidin-4-amine
CID 126849068
6-propan-2-yl-N-[3-(triazol-1-yl)propyl]pyrimidin-4-amine
CID 113412986
N-pentyl-6-propan-2-ylpyrimidin-4-amine
CID 61239397
N'-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
CID 61240160
N',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
CID 61240740
N'-(6-propan-2-ylpyrimidin-4-yl)hexane-1,6-diamine
CID 107844656
2-(2,6-dioxopiperidin-1-yl)-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]ethanesulfonamide
CID 122314407
N-pent-4-ynyl-6-propan-2-ylpyrimidin-4-amine
CID 103704412
1-(3-chloropropyl)pyrrolidine-2,5-dione
CID 16788086
N-cyclopropyl-4-[(6-propan-2-ylpyrimidin-4-yl)amino]butanamide
CID 78954830

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[6-(difluoromethyl)pyrimidin-4-yl]amino]propyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[3-[[6-(difluoromethyl)pyrimidin-4-yl]amino]propyl]pyrrolidine-2,5-dione (CID 136568946) is 1-[3-[[6-(difluoromethyl)pyrimidin-4-yl]amino]propyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-[[6-(difluoromethyl)pyrimidin-4-yl]amino]propyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-[[6-(difluoromethyl)pyrimidin-4-yl]amino]propyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1CCCNc1cc(C(F)F)ncn1.
What is the InChIKey of 1-[3-[[6-(difluoromethyl)pyrimidin-4-yl]amino]propyl]pyrrolidine-2,5-dione?
The InChIKey is FXYHWJOJXHWXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N4O2/c13-12(14)8-6-9(17-7-16-8)15-4-1-5-18-10(19)2-3-11(18)20/h6-7,12H,1-5H2,(H,15,16,17).
What are the key properties of 1-[3-[[6-(difluoromethyl)pyrimidin-4-yl]amino]propyl]pyrrolidine-2,5-dione?
1-[3-[[6-(difluoromethyl)pyrimidin-4-yl]amino]propyl]pyrrolidine-2,5-dione has a molecular weight of 284.27 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[6-(difluoromethyl)pyrimidin-4-yl]amino]propyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 136568946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).