1-(5-chloro-2-hydrazinylpyrimidin-4-yl)pyrrolidine-3,4-diol

C8H12ClN5O2 — CID 106674652

IUPAC1-(5-chloro-2-hydrazinylpyrimidin-4-yl)pyrrolidine-3,4-diol
SMILESNNc1ncc(Cl)c(N2CC(O)C(O)C2)n1
InChIInChI=1S/C8H12ClN5O2/c9-4-1-11-8(13-10)12-7(4)14-2-5(15)6(16)3-14/h1,5-6,15-16H,2-3,10H2,(H,11,12,13)
InChIKeyHZLUYTMIVFYWAX-UHFFFAOYSA-N
MW245.67 g/mol
LogP-1.04
Rot. Bonds2

About 1-(5-chloro-2-hydrazinylpyrimidin-4-yl)pyrrolidine-3,4-diol

1-(5-chloro-2-hydrazinylpyrimidin-4-yl)pyrrolidine-3,4-diol (PubChem CID 106674652) has the molecular formula C8H12ClN5O2 and a molecular weight of 245.67 g/mol. Its IUPAC name is 1-(5-chloro-2-hydrazinylpyrimidin-4-yl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(5-chloro-2-hydrazinylpyrimidin-4-yl)pyrrolidine-3,4-diol
PubChem CID106674652
Molecular FormulaC8H12ClN5O2
Molecular Weight245.67 g/mol
Exact Mass245.07
IUPAC Name1-(5-chloro-2-hydrazinylpyrimidin-4-yl)pyrrolidine-3,4-diol
SMILESNNc1ncc(Cl)c(N2CC(O)C(O)C2)n1
InChIInChI=1S/C8H12ClN5O2/c9-4-1-11-8(13-10)12-7(4)14-2-5(15)6(16)3-14/h1,5-6,15-16H,2-3,10H2,(H,11,12,13)
InChIKeyHZLUYTMIVFYWAX-UHFFFAOYSA-N
XLogP-1.04
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 5-1.04
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'}

Analyze 1-(5-chloro-2-hydrazinylpyrimidin-4-yl)pyrrolidine-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-chloro-4-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-2-yl]hydrazine
CID 114542250
1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrrolidine-3,4-diol
CID 106674672
[4-(azetidin-1-yl)-5-chloropyrimidin-2-yl]hydrazine
CID 130548753
[4-(azocan-1-yl)-5-chloropyrimidin-2-yl]hydrazine
CID 80932155
1-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine
CID 80914551
2-[4-(5-chloro-2-hydrazinylpyrimidin-4-yl)piperazin-1-yl]ethanol
CID 80906441
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-N-methylpyrimidin-2-amine
CID 113336405
1-[5-chloro-2-(methylamino)pyrimidin-4-yl]-3-methylpiperidin-4-ol
CID 114684020
5-chloro-4-(3,4-dimethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 80848714
[5-chloro-4-(5-ethyl-2-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazine
CID 80896237
5-chloro-4-(2,6-dimethylmorpholin-4-yl)-N-ethylpyrimidin-2-amine
CID 80764781
1-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
CID 80904855

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-hydrazinylpyrimidin-4-yl)pyrrolidine-3,4-diol?
The IUPAC name of 1-(5-chloro-2-hydrazinylpyrimidin-4-yl)pyrrolidine-3,4-diol (CID 106674652) is 1-(5-chloro-2-hydrazinylpyrimidin-4-yl)pyrrolidine-3,4-diol.
What is the SMILES notation for 1-(5-chloro-2-hydrazinylpyrimidin-4-yl)pyrrolidine-3,4-diol?
The canonical SMILES for 1-(5-chloro-2-hydrazinylpyrimidin-4-yl)pyrrolidine-3,4-diol is NNc1ncc(Cl)c(N2CC(O)C(O)C2)n1.
What is the InChIKey of 1-(5-chloro-2-hydrazinylpyrimidin-4-yl)pyrrolidine-3,4-diol?
The InChIKey is HZLUYTMIVFYWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN5O2/c9-4-1-11-8(13-10)12-7(4)14-2-5(15)6(16)3-14/h1,5-6,15-16H,2-3,10H2,(H,11,12,13).
What are the key properties of 1-(5-chloro-2-hydrazinylpyrimidin-4-yl)pyrrolidine-3,4-diol?
1-(5-chloro-2-hydrazinylpyrimidin-4-yl)pyrrolidine-3,4-diol has a molecular weight of 245.67 g/mol, XLogP of -1.04, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-hydrazinylpyrimidin-4-yl)pyrrolidine-3,4-diol is sourced from PubChem (CID 106674652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).