2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)-cyclopropylamino]ethanol

C9H14ClN5O — CID 80904782

IUPAC2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)-cyclopropylamino]ethanol
SMILESNNc1ncc(Cl)c(N(CCO)C2CC2)n1
InChIInChI=1S/C9H14ClN5O/c10-7-5-12-9(14-11)13-8(7)15(3-4-16)6-1-2-6/h5-6,16H,1-4,11H2,(H,12,13,14)
InChIKeyBIUSXPUHMWVVGF-UHFFFAOYSA-N
MW243.70 g/mol
LogP0.38
Rot. Bonds5

About 2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)-cyclopropylamino]ethanol

2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)-cyclopropylamino]ethanol (PubChem CID 80904782) has the molecular formula C9H14ClN5O and a molecular weight of 243.70 g/mol. Its IUPAC name is 2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)-cyclopropylamino]ethanol.

Molecular Properties

Compound Name2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)-cyclopropylamino]ethanol
PubChem CID80904782
Molecular FormulaC9H14ClN5O
Molecular Weight243.70 g/mol
Exact Mass243.09
IUPAC Name2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)-cyclopropylamino]ethanol
SMILESNNc1ncc(Cl)c(N(CCO)C2CC2)n1
InChIInChI=1S/C9H14ClN5O/c10-7-5-12-9(14-11)13-8(7)15(3-4-16)6-1-2-6/h5-6,16H,1-4,11H2,(H,12,13,14)
InChIKeyBIUSXPUHMWVVGF-UHFFFAOYSA-N
XLogP0.38
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.70
LogP ≤ 50.38
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

2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]-cyclohexylamino]ethanol
CID 80811147
2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80904213
2-[cyclopropyl-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 103333014
2-[(5-chloro-2-methoxypyrimidin-4-yl)-cyclopentylamino]ethanol
CID 80752339
2-[cyclopropyl-(3,5-dichloro-2-pyridinyl)amino]ethanol
CID 61146210
5-chloro-N-cyclohexyl-2-hydrazinyl-N-methylpyrimidin-4-amine
CID 80927595
2-[cyclopropyl-[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]ethanol
CID 80811535
2-[cyclopentyl-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 103333025
2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol
CID 102875751
2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 80898903
2-[cyclopropyl-(3,6-dimethylpyrazin-2-yl)amino]ethanol
CID 65418206
2-[cyclohexyl-[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80810933

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)-cyclopropylamino]ethanol?
The IUPAC name of 2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)-cyclopropylamino]ethanol (CID 80904782) is 2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)-cyclopropylamino]ethanol.
What is the SMILES notation for 2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)-cyclopropylamino]ethanol?
The canonical SMILES for 2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)-cyclopropylamino]ethanol is NNc1ncc(Cl)c(N(CCO)C2CC2)n1.
What is the InChIKey of 2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)-cyclopropylamino]ethanol?
The InChIKey is BIUSXPUHMWVVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN5O/c10-7-5-12-9(14-11)13-8(7)15(3-4-16)6-1-2-6/h5-6,16H,1-4,11H2,(H,12,13,14).
What are the key properties of 2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)-cyclopropylamino]ethanol?
2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)-cyclopropylamino]ethanol has a molecular weight of 243.70 g/mol, XLogP of 0.38, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)-cyclopropylamino]ethanol is sourced from PubChem (CID 80904782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).