4-(aminomethyl)-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrrolidin-2-one

C13H14N4O2 — CID 168661436

IUPAC4-(aminomethyl)-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2nccc(-c3ccco3)n2)C1
InChIInChI=1S/C13H14N4O2/c14-7-9-6-12(18)17(8-9)13-15-4-3-10(16-13)11-2-1-5-19-11/h1-5,9H,6-8,14H2
InChIKeyGPOWBARFQLPFKS-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.05
Rot. Bonds3

About 4-(aminomethyl)-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrrolidin-2-one

4-(aminomethyl)-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrrolidin-2-one (PubChem CID 168661436) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-(aminomethyl)-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrrolidin-2-one
PubChem CID168661436
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name4-(aminomethyl)-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2nccc(-c3ccco3)n2)C1
InChIInChI=1S/C13H14N4O2/c14-7-9-6-12(18)17(8-9)13-15-4-3-10(16-13)11-2-1-5-19-11/h1-5,9H,6-8,14H2
InChIKeyGPOWBARFQLPFKS-UHFFFAOYSA-N
XLogP1.05
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(furan-2-yl)pyrimidin-2-yl]-5-oxopyrrolidine-3-sulfonamide
CID 168719599
1-[4-(furan-2-yl)-1,3-thiazol-2-yl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168664210
1-(4-pyridin-3-ylpyrimidin-2-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672276
[1-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677780
4-(aminomethyl)-1-(2-methyl-4-pyridinyl)pyrrolidin-2-one
CID 168660066
4-(aminomethyl)-1-(2,4-dichloro-3-pyridinyl)pyrrolidin-2-one
CID 168660485
[1-[4-(4-bromophenyl)pyrimidin-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674558
4-ethynyl-1-(4-phenylpyrimidin-2-yl)pyrrolidin-2-one
CID 168502946
4-(aminomethyl)-1-(1,10-phenanthrolin-5-yl)pyrrolidin-2-one
CID 168661050
4-(aminomethyl)-1-[5-bromo-4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one
CID 168660952
4-(aminomethyl)-1-(3-pyrazol-1-ylphenyl)pyrrolidin-2-one
CID 168661209
4-(aminomethyl)-1-(1-methylbenzimidazol-5-yl)pyrrolidin-2-one
CID 83543998

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrrolidin-2-one (CID 168661436) is 4-(aminomethyl)-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrrolidin-2-one is NCC1CC(=O)N(c2nccc(-c3ccco3)n2)C1.
What is the InChIKey of 4-(aminomethyl)-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrrolidin-2-one?
The InChIKey is GPOWBARFQLPFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c14-7-9-6-12(18)17(8-9)13-15-4-3-10(16-13)11-2-1-5-19-11/h1-5,9H,6-8,14H2.
What are the key properties of 4-(aminomethyl)-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrrolidin-2-one?
4-(aminomethyl)-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrrolidin-2-one has a molecular weight of 258.28 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 168661436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).