1-[3-[[5-methyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one

C19H30N6O2 — CID 117089088

IUPAC1-[3-[[5-methyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
SMILESCc1cnc(NCCCN2CCCC2=O)nc1NCCCN1CCCC1=O
InChIInChI=1S/C19H30N6O2/c1-15-14-22-19(21-9-5-13-25-11-3-7-17(25)27)23-18(15)20-8-4-12-24-10-2-6-16(24)26/h14H,2-13H2,1H3,(H2,20,21,22,23)
InChIKeyRFINHMIVMAFXMP-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.63
Rot. Bonds10

About 1-[3-[[5-methyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one

1-[3-[[5-methyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one (PubChem CID 117089088) has the molecular formula C19H30N6O2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-[3-[[5-methyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[[5-methyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
PubChem CID117089088
Molecular FormulaC19H30N6O2
Molecular Weight374.49 g/mol
Exact Mass374.24
IUPAC Name1-[3-[[5-methyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
SMILESCc1cnc(NCCCN2CCCC2=O)nc1NCCCN1CCCC1=O
InChIInChI=1S/C19H30N6O2/c1-15-14-22-19(21-9-5-13-25-11-3-7-17(25)27)23-18(15)20-8-4-12-24-10-2-6-16(24)26/h14H,2-13H2,1H3,(H2,20,21,22,23)
InChIKeyRFINHMIVMAFXMP-UHFFFAOYSA-N
XLogP1.63
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[5-methyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[[5-methyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one (CID 117089088) is 1-[3-[[5-methyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[[5-methyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[[5-methyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one is Cc1cnc(NCCCN2CCCC2=O)nc1NCCCN1CCCC1=O.
What is the InChIKey of 1-[3-[[5-methyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one?
The InChIKey is RFINHMIVMAFXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O2/c1-15-14-22-19(21-9-5-13-25-11-3-7-17(25)27)23-18(15)20-8-4-12-24-10-2-6-16(24)26/h14H,2-13H2,1H3,(H2,20,21,22,23).
What are the key properties of 1-[3-[[5-methyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one?
1-[3-[[5-methyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one has a molecular weight of 374.49 g/mol, XLogP of 1.63, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[5-methyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 117089088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).