1-methyl-3-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]pyrrolidin-2-one

C14H20N6O — CID 106258542

IUPAC1-methyl-3-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]pyrrolidin-2-one
SMILESCCCNc1cn2ccnc2c(NC2CCN(C)C2=O)n1
InChIInChI=1S/C14H20N6O/c1-3-5-15-11-9-20-8-6-16-13(20)12(18-11)17-10-4-7-19(2)14(10)21/h6,8-10,15H,3-5,7H2,1-2H3,(H,17,18)
InChIKeyKDRYJTJDGFYMPV-UHFFFAOYSA-N
MW288.36 g/mol
LogP1.19
Rot. Bonds5

About 1-methyl-3-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]pyrrolidin-2-one

1-methyl-3-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]pyrrolidin-2-one (PubChem CID 106258542) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 1-methyl-3-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]pyrrolidin-2-one
PubChem CID106258542
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name1-methyl-3-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]pyrrolidin-2-one
SMILESCCCNc1cn2ccnc2c(NC2CCN(C)C2=O)n1
InChIInChI=1S/C14H20N6O/c1-3-5-15-11-9-20-8-6-16-13(20)12(18-11)17-10-4-7-19(2)14(10)21/h6,8-10,15H,3-5,7H2,1-2H3,(H,17,18)
InChIKeyKDRYJTJDGFYMPV-UHFFFAOYSA-N
XLogP1.19
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]pyrrolidin-2-one (CID 106258542) is 1-methyl-3-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]pyrrolidin-2-one is CCCNc1cn2ccnc2c(NC2CCN(C)C2=O)n1.
What is the InChIKey of 1-methyl-3-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]pyrrolidin-2-one?
The InChIKey is KDRYJTJDGFYMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-3-5-15-11-9-20-8-6-16-13(20)12(18-11)17-10-4-7-19(2)14(10)21/h6,8-10,15H,3-5,7H2,1-2H3,(H,17,18).
What are the key properties of 1-methyl-3-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]pyrrolidin-2-one?
1-methyl-3-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]pyrrolidin-2-one has a molecular weight of 288.36 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]pyrrolidin-2-one is sourced from PubChem (CID 106258542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).