1-[[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

C11H18ClN5O — CID 80915223

IUPAC1-[[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESNNc1ncc(Cl)c(NCC2(O)CCCCC2)n1
InChIInChI=1S/C11H18ClN5O/c12-8-6-14-10(17-13)16-9(8)15-7-11(18)4-2-1-3-5-11/h6,18H,1-5,7,13H2,(H2,14,15,16,17)
InChIKeyYOOPLGPPEPYNCM-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.52
Rot. Bonds4

About 1-[[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

1-[[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 80915223) has the molecular formula C11H18ClN5O and a molecular weight of 271.75 g/mol. Its IUPAC name is 1-[[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID80915223
Molecular FormulaC11H18ClN5O
Molecular Weight271.75 g/mol
Exact Mass271.12
IUPAC Name1-[[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESNNc1ncc(Cl)c(NCC2(O)CCCCC2)n1
InChIInChI=1S/C11H18ClN5O/c12-8-6-14-10(17-13)16-9(8)15-7-11(18)4-2-1-3-5-11/h6,18H,1-5,7,13H2,(H2,14,15,16,17)
InChIKeyYOOPLGPPEPYNCM-UHFFFAOYSA-N
XLogP1.52
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.52
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of 1-[[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (CID 80915223) is 1-[[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is NNc1ncc(Cl)c(NCC2(O)CCCCC2)n1.
What is the InChIKey of 1-[[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is YOOPLGPPEPYNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5O/c12-8-6-14-10(17-13)16-9(8)15-7-11(18)4-2-1-3-5-11/h6,18H,1-5,7,13H2,(H2,14,15,16,17).
What are the key properties of 1-[[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
1-[[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 271.75 g/mol, XLogP of 1.52, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 80915223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).