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'}

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Related Compounds

6-hydrazinyl-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyrimidin-4-amine
CID 104767552
5-chloro-2-hydrazinyl-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-amine
CID 80928877
6-chloro-4-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidine-4,5-diamine
CID 104759022
6-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pyrazin-2-amine
CID 104705608
5-chloro-2-[(3-methoxyoxolan-3-yl)methylamino]pyridine-4-carboxylic acid
CID 114919956
1-[[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 80915223
6-hydrazinyl-4-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidine-2,4-diamine
CID 104767560
6-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pyridazin-4-amine
CID 114478239
5-chloro-N-(2,2-dimethylpropyl)-2-hydrazinylpyrimidin-4-amine
CID 80898024
3-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyridin-2-amine
CID 105367120
ethyl 2-[(3-methoxyoxolan-3-yl)methylamino]-4-methylpyrimidine-5-carboxylate
CID 104705516
3,5,6-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine
CID 114072689

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).