5-[[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one

C9H13ClN6O — CID 80917435

IUPAC5-[[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one
SMILESNNc1ncc(Cl)c(NCC2CCC(=O)N2)n1
InChIInChI=1S/C9H13ClN6O/c10-6-4-13-9(16-11)15-8(6)12-3-5-1-2-7(17)14-5/h4-5H,1-3,11H2,(H,14,17)(H2,12,13,15,16)
InChIKeyHORCNLUWQQBNCT-UHFFFAOYSA-N
MW256.70 g/mol
LogP0.11
Rot. Bonds4

About 5-[[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one

5-[[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one (PubChem CID 80917435) has the molecular formula C9H13ClN6O and a molecular weight of 256.70 g/mol. Its IUPAC name is 5-[[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one
PubChem CID80917435
Molecular FormulaC9H13ClN6O
Molecular Weight256.70 g/mol
Exact Mass256.08
IUPAC Name5-[[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one
SMILESNNc1ncc(Cl)c(NCC2CCC(=O)N2)n1
InChIInChI=1S/C9H13ClN6O/c10-6-4-13-9(16-11)15-8(6)12-3-5-1-2-7(17)14-5/h4-5H,1-3,11H2,(H,14,17)(H2,12,13,15,16)
InChIKeyHORCNLUWQQBNCT-UHFFFAOYSA-N
XLogP0.11
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.70
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one
CID 79073907
5-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 80837054
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-chloro-2-hydrazinylpyrimidin-4-amine
CID 80898548
5-chloro-2-hydrazinyl-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 80903527
5-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]pyrrolidin-2-one
CID 80837875
5-chloro-N-(2,2-dimethylpropyl)-2-hydrazinylpyrimidin-4-amine
CID 80898024
5-[[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 103328236
1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 80915615
5-chloro-N-(3-fluoropropyl)-2-hydrazinylpyrimidin-4-amine
CID 130505153
5-[[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one
CID 80836534
5-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]pyrrolidin-2-one
CID 104924301
5-[[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one
CID 80910159

Frequently Asked Questions

What is the IUPAC name of 5-[[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one (CID 80917435) is 5-[[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one is NNc1ncc(Cl)c(NCC2CCC(=O)N2)n1.
What is the InChIKey of 5-[[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one?
The InChIKey is HORCNLUWQQBNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN6O/c10-6-4-13-9(16-11)15-8(6)12-3-5-1-2-7(17)14-5/h4-5H,1-3,11H2,(H,14,17)(H2,12,13,15,16).
What are the key properties of 5-[[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one?
5-[[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one has a molecular weight of 256.70 g/mol, XLogP of 0.11, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 80917435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).