1-[3-[(6-imidazol-1-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one

C14H18N6O — CID 141127042

IUPAC1-[3-[(6-imidazol-1-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCNc1cc(-n2ccnc2)ncn1
InChIInChI=1S/C14H18N6O/c21-14-3-1-6-19(14)7-2-4-16-12-9-13(18-10-17-12)20-8-5-15-11-20/h5,8-11H,1-4,6-7H2,(H,16,17,18)
InChIKeySMRYFBWIYIEISP-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.09
Rot. Bonds6

About 1-[3-[(6-imidazol-1-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one

1-[3-[(6-imidazol-1-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one (PubChem CID 141127042) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-[3-[(6-imidazol-1-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[(6-imidazol-1-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
PubChem CID141127042
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name1-[3-[(6-imidazol-1-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCNc1cc(-n2ccnc2)ncn1
InChIInChI=1S/C14H18N6O/c21-14-3-1-6-19(14)7-2-4-16-12-9-13(18-10-17-12)20-8-5-15-11-20/h5,8-11H,1-4,6-7H2,(H,16,17,18)
InChIKeySMRYFBWIYIEISP-UHFFFAOYSA-N
XLogP1.09
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(6-imidazol-1-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[(6-imidazol-1-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one (CID 141127042) is 1-[3-[(6-imidazol-1-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[(6-imidazol-1-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[(6-imidazol-1-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one is O=C1CCCN1CCCNc1cc(-n2ccnc2)ncn1.
What is the InChIKey of 1-[3-[(6-imidazol-1-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one?
The InChIKey is SMRYFBWIYIEISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c21-14-3-1-6-19(14)7-2-4-16-12-9-13(18-10-17-12)20-8-5-15-11-20/h5,8-11H,1-4,6-7H2,(H,16,17,18).
What are the key properties of 1-[3-[(6-imidazol-1-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one?
1-[3-[(6-imidazol-1-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one has a molecular weight of 286.34 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(6-imidazol-1-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 141127042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).