5-[[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one

C11H18N6O2 — CID 113401871

IUPAC5-[[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
SMILESCOCc1nc(NN)cc(NCC2CCC(=O)N2)n1
InChIInChI=1S/C11H18N6O2/c1-19-6-10-15-8(4-9(16-10)17-12)13-5-7-2-3-11(18)14-7/h4,7H,2-3,5-6,12H2,1H3,(H,14,18)(H2,13,15,16,17)
InChIKeyIPOHQYCJKGMORL-UHFFFAOYSA-N
MW266.31 g/mol
LogP-0.40
Rot. Bonds6

About 5-[[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one

5-[[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one (PubChem CID 113401871) has the molecular formula C11H18N6O2 and a molecular weight of 266.31 g/mol. Its IUPAC name is 5-[[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
PubChem CID113401871
Molecular FormulaC11H18N6O2
Molecular Weight266.31 g/mol
Exact Mass266.15
IUPAC Name5-[[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
SMILESCOCc1nc(NN)cc(NCC2CCC(=O)N2)n1
InChIInChI=1S/C11H18N6O2/c1-19-6-10-15-8(4-9(16-10)17-12)13-5-7-2-3-11(18)14-7/h4,7H,2-3,5-6,12H2,1H3,(H,14,18)(H2,13,15,16,17)
InChIKeyIPOHQYCJKGMORL-UHFFFAOYSA-N
XLogP-0.40
TPSA114.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 5-0.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one (CID 113401871) is 5-[[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one is COCc1nc(NN)cc(NCC2CCC(=O)N2)n1.
What is the InChIKey of 5-[[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one?
The InChIKey is IPOHQYCJKGMORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2/c1-19-6-10-15-8(4-9(16-10)17-12)13-5-7-2-3-11(18)14-7/h4,7H,2-3,5-6,12H2,1H3,(H,14,18)(H2,13,15,16,17).
What are the key properties of 5-[[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one?
5-[[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one has a molecular weight of 266.31 g/mol, XLogP of -0.40, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 113401871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).