1-[3-[[2-amino-6-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one

C15H20N8O — CID 117081350

IUPAC1-[3-[[2-amino-6-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
SMILESNc1nc(NCCCN2CCCC2=O)cc(Nc2ccncn2)n1
InChIInChI=1S/C15H20N8O/c16-15-21-12(18-5-2-8-23-7-1-3-14(23)24)9-13(22-15)20-11-4-6-17-10-19-11/h4,6,9-10H,1-3,5,7-8H2,(H4,16,17,18,19,20,21,22)
InChIKeyUCERBZQBPVYTJH-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.02
Rot. Bonds7

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

1-[3-[[2-amino-6-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one (PubChem CID 117081350) has the molecular formula C15H20N8O and a molecular weight of 328.38 g/mol. Its IUPAC name is 1-[3-[[2-amino-6-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[[2-amino-6-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
PubChem CID117081350
Molecular FormulaC15H20N8O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC Name1-[3-[[2-amino-6-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
SMILESNc1nc(NCCCN2CCCC2=O)cc(Nc2ccncn2)n1
InChIInChI=1S/C15H20N8O/c16-15-21-12(18-5-2-8-23-7-1-3-14(23)24)9-13(22-15)20-11-4-6-17-10-19-11/h4,6,9-10H,1-3,5,7-8H2,(H4,16,17,18,19,20,21,22)
InChIKeyUCERBZQBPVYTJH-UHFFFAOYSA-N
XLogP1.02
TPSA121.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-[3-[[2-amino-6-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[3-[[9-[2-(2-oxopyrrolidin-1-yl)ethyl]-2-(pyrimidin-4-ylamino)purin-6-yl]amino]propyl]pyrrolidin-2-one
CID 117084307
1-[3-[[2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 117083786
1-[3-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 90189569
1-[3-[[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 117091420
1-[3-[[9-cyclohexyl-2-(pyrimidin-4-ylamino)purin-6-yl]amino]propyl]pyrrolidin-2-one
CID 117082553
1-[3-[[2-amino-6-[(1-benzylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 117087297
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide
CID 117085100
1-[3-[[6-(4-phenoxyanilino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 117093882
1-[3-[[2-(pyrimidin-4-ylamino)-9-thiophen-3-ylpurin-6-yl]amino]propyl]pyrrolidin-2-one
CID 117081849
1-[3-[[6-methyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 117080518
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-4-carboxamide
CID 117094373
6-N-(4-morpholin-4-ylphenyl)-4-N-pyrimidin-4-ylpyrimidine-2,4,6-triamine
CID 117089780

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[2-amino-6-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[[2-amino-6-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one (CID 117081350) is 1-[3-[[2-amino-6-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[[2-amino-6-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[[2-amino-6-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one is Nc1nc(NCCCN2CCCC2=O)cc(Nc2ccncn2)n1.
What is the InChIKey of 1-[3-[[2-amino-6-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one?
The InChIKey is UCERBZQBPVYTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N8O/c16-15-21-12(18-5-2-8-23-7-1-3-14(23)24)9-13(22-15)20-11-4-6-17-10-19-11/h4,6,9-10H,1-3,5,7-8H2,(H4,16,17,18,19,20,21,22).
What are the key properties of 1-[3-[[2-amino-6-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one?
1-[3-[[2-amino-6-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one has a molecular weight of 328.38 g/mol, XLogP of 1.02, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[2-amino-6-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 117081350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).