5-chloro-N-(2,2-diethyloxan-4-yl)-2-hydrazinylpyrimidin-4-amine

C13H22ClN5O — CID 83039460

IUPAC5-chloro-N-(2,2-diethyloxan-4-yl)-2-hydrazinylpyrimidin-4-amine
SMILESCCC1(CC)CC(Nc2nc(NN)ncc2Cl)CCO1
InChIInChI=1S/C13H22ClN5O/c1-3-13(4-2)7-9(5-6-20-13)17-11-10(14)8-16-12(18-11)19-15/h8-9H,3-7,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyWEEUIPBNEZAMSO-UHFFFAOYSA-N
MW299.81 g/mol
LogP2.57
Rot. Bonds5

About 5-chloro-N-(2,2-diethyloxan-4-yl)-2-hydrazinylpyrimidin-4-amine

5-chloro-N-(2,2-diethyloxan-4-yl)-2-hydrazinylpyrimidin-4-amine (PubChem CID 83039460) has the molecular formula C13H22ClN5O and a molecular weight of 299.81 g/mol. Its IUPAC name is 5-chloro-N-(2,2-diethyloxan-4-yl)-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-(2,2-diethyloxan-4-yl)-2-hydrazinylpyrimidin-4-amine
PubChem CID83039460
Molecular FormulaC13H22ClN5O
Molecular Weight299.81 g/mol
Exact Mass299.15
IUPAC Name5-chloro-N-(2,2-diethyloxan-4-yl)-2-hydrazinylpyrimidin-4-amine
SMILESCCC1(CC)CC(Nc2nc(NN)ncc2Cl)CCO1
InChIInChI=1S/C13H22ClN5O/c1-3-13(4-2)7-9(5-6-20-13)17-11-10(14)8-16-12(18-11)19-15/h8-9H,3-7,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyWEEUIPBNEZAMSO-UHFFFAOYSA-N
XLogP2.57
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 52.57
H-Bond Donors ≤ 53
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-chloro-N-(2,2-diethyloxan-4-yl)pyrimidin-2-amine
CID 82760303
3,5,6-trichloro-N-(2,2-diethyloxan-4-yl)pyridin-2-amine
CID 102751716
5-chloro-6-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid
CID 83036892
6-chloro-N-(2,2-diethyloxan-4-yl)-4,5-dimethylpyridazin-3-amine
CID 83028987
6-chloro-2-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid
CID 83037052
3,6-dichloro-N-(2,2-diethyloxan-4-yl)pyridazin-4-amine
CID 83028580
3-[(2,2-diethyloxan-4-yl)amino]pyrazine-2-carbonitrile
CID 82760298
3-[(2,2-diethyloxan-4-yl)amino]-1H-pyrazin-2-one
CID 115865725
2-chloro-4-N-(2,2-diethyloxan-4-yl)-5-methylbenzene-1,4-diamine
CID 83028148
6-N-(2,2-diethyloxan-4-yl)pyridine-2,3,6-triamine
CID 83026937
N-(2,2-diethyloxan-4-yl)-2-methylpyrimidin-4-amine
CID 82760302
2-[(2,2-diethyloxan-4-yl)amino]-6-methylpyridine-3-carbothioamide
CID 83036856

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,2-diethyloxan-4-yl)-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of 5-chloro-N-(2,2-diethyloxan-4-yl)-2-hydrazinylpyrimidin-4-amine (CID 83039460) is 5-chloro-N-(2,2-diethyloxan-4-yl)-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-(2,2-diethyloxan-4-yl)-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-(2,2-diethyloxan-4-yl)-2-hydrazinylpyrimidin-4-amine is CCC1(CC)CC(Nc2nc(NN)ncc2Cl)CCO1.
What is the InChIKey of 5-chloro-N-(2,2-diethyloxan-4-yl)-2-hydrazinylpyrimidin-4-amine?
The InChIKey is WEEUIPBNEZAMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5O/c1-3-13(4-2)7-9(5-6-20-13)17-11-10(14)8-16-12(18-11)19-15/h8-9H,3-7,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 5-chloro-N-(2,2-diethyloxan-4-yl)-2-hydrazinylpyrimidin-4-amine?
5-chloro-N-(2,2-diethyloxan-4-yl)-2-hydrazinylpyrimidin-4-amine has a molecular weight of 299.81 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,2-diethyloxan-4-yl)-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 83039460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).