5-chloro-2-hydrazinyl-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidin-4-amine

C10H16ClN5O2 — CID 104767567

IUPAC5-chloro-2-hydrazinyl-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidin-4-amine
SMILESCOC1(CNc2nc(NN)ncc2Cl)CCOC1
InChIInChI=1S/C10H16ClN5O2/c1-17-10(2-3-18-6-10)5-14-8-7(11)4-13-9(15-8)16-12/h4H,2-3,5-6,12H2,1H3,(H2,13,14,15,16)
InChIKeyRAVRIHOFMIJQCM-UHFFFAOYSA-N
MW273.72 g/mol
LogP0.63
Rot. Bonds5

About 5-chloro-2-hydrazinyl-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidin-4-amine

5-chloro-2-hydrazinyl-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidin-4-amine (PubChem CID 104767567) has the molecular formula C10H16ClN5O2 and a molecular weight of 273.72 g/mol. Its IUPAC name is 5-chloro-2-hydrazinyl-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-2-hydrazinyl-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidin-4-amine
PubChem CID104767567
Molecular FormulaC10H16ClN5O2
Molecular Weight273.72 g/mol
Exact Mass273.10
IUPAC Name5-chloro-2-hydrazinyl-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidin-4-amine
SMILESCOC1(CNc2nc(NN)ncc2Cl)CCOC1
InChIInChI=1S/C10H16ClN5O2/c1-17-10(2-3-18-6-10)5-14-8-7(11)4-13-9(15-8)16-12/h4H,2-3,5-6,12H2,1H3,(H2,13,14,15,16)
InChIKeyRAVRIHOFMIJQCM-UHFFFAOYSA-N
XLogP0.63
TPSA94.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 50.63
H-Bond Donors ≤ 53
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 5-chloro-2-hydrazinyl-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydrazinyl-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-2-hydrazinyl-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidin-4-amine (CID 104767567) is 5-chloro-2-hydrazinyl-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-2-hydrazinyl-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-2-hydrazinyl-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidin-4-amine is COC1(CNc2nc(NN)ncc2Cl)CCOC1.
What is the InChIKey of 5-chloro-2-hydrazinyl-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is RAVRIHOFMIJQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5O2/c1-17-10(2-3-18-6-10)5-14-8-7(11)4-13-9(15-8)16-12/h4H,2-3,5-6,12H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-chloro-2-hydrazinyl-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidin-4-amine?
5-chloro-2-hydrazinyl-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidin-4-amine has a molecular weight of 273.72 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydrazinyl-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 104767567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).