1-[3-[[6-(aminomethyl)-2-methylpyrimidin-4-yl]amino]propyl]pyrrolidin-2-one

C13H21N5O — CID 56722769

IUPAC1-[3-[[6-(aminomethyl)-2-methylpyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
SMILESCc1nc(CN)cc(NCCCN2CCCC2=O)n1
InChIInChI=1S/C13H21N5O/c1-10-16-11(9-14)8-12(17-10)15-5-3-7-18-6-2-4-13(18)19/h8H,2-7,9,14H2,1H3,(H,15,16,17)
InChIKeyLNJFZKCGYSAIMP-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.67
Rot. Bonds6

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

1-[3-[[6-(aminomethyl)-2-methylpyrimidin-4-yl]amino]propyl]pyrrolidin-2-one (PubChem CID 56722769) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[3-[[6-(aminomethyl)-2-methylpyrimidin-4-yl]amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[[6-(aminomethyl)-2-methylpyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
PubChem CID56722769
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name1-[3-[[6-(aminomethyl)-2-methylpyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
SMILESCc1nc(CN)cc(NCCCN2CCCC2=O)n1
InChIInChI=1S/C13H21N5O/c1-10-16-11(9-14)8-12(17-10)15-5-3-7-18-6-2-4-13(18)19/h8H,2-7,9,14H2,1H3,(H,15,16,17)
InChIKeyLNJFZKCGYSAIMP-UHFFFAOYSA-N
XLogP0.67
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(aminomethyl)-2-methylpyrimidin-4-yl]amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[[6-(aminomethyl)-2-methylpyrimidin-4-yl]amino]propyl]pyrrolidin-2-one (CID 56722769) is 1-[3-[[6-(aminomethyl)-2-methylpyrimidin-4-yl]amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[[6-(aminomethyl)-2-methylpyrimidin-4-yl]amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[[6-(aminomethyl)-2-methylpyrimidin-4-yl]amino]propyl]pyrrolidin-2-one is Cc1nc(CN)cc(NCCCN2CCCC2=O)n1.
What is the InChIKey of 1-[3-[[6-(aminomethyl)-2-methylpyrimidin-4-yl]amino]propyl]pyrrolidin-2-one?
The InChIKey is LNJFZKCGYSAIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-10-16-11(9-14)8-12(17-10)15-5-3-7-18-6-2-4-13(18)19/h8H,2-7,9,14H2,1H3,(H,15,16,17).
What are the key properties of 1-[3-[[6-(aminomethyl)-2-methylpyrimidin-4-yl]amino]propyl]pyrrolidin-2-one?
1-[3-[[6-(aminomethyl)-2-methylpyrimidin-4-yl]amino]propyl]pyrrolidin-2-one has a molecular weight of 263.34 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[6-(aminomethyl)-2-methylpyrimidin-4-yl]amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 56722769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).