[1-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]cyclohexyl]methanol

C12H21N5O — CID 80919373

IUPAC[1-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]cyclohexyl]methanol
SMILESCc1c(NN)ncnc1NC1(CO)CCCCC1
InChIInChI=1S/C12H21N5O/c1-9-10(14-8-15-11(9)17-13)16-12(7-18)5-3-2-4-6-12/h8,18H,2-7,13H2,1H3,(H2,14,15,16,17)
InChIKeyMIYQTOHPKWUJLY-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.18
Rot. Bonds4

About [1-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]cyclohexyl]methanol

[1-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]cyclohexyl]methanol (PubChem CID 80919373) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is [1-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]cyclohexyl]methanol
PubChem CID80919373
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name[1-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]cyclohexyl]methanol
SMILESCc1c(NN)ncnc1NC1(CO)CCCCC1
InChIInChI=1S/C12H21N5O/c1-9-10(14-8-15-11(9)17-13)16-12(7-18)5-3-2-4-6-12/h8,18H,2-7,13H2,1H3,(H2,14,15,16,17)
InChIKeyMIYQTOHPKWUJLY-UHFFFAOYSA-N
XLogP1.18
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.18
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-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]cyclohexyl]methanol?
The IUPAC name of [1-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]cyclohexyl]methanol (CID 80919373) is [1-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]cyclohexyl]methanol.
What is the SMILES notation for [1-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]cyclohexyl]methanol?
The canonical SMILES for [1-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]cyclohexyl]methanol is Cc1c(NN)ncnc1NC1(CO)CCCCC1.
What is the InChIKey of [1-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]cyclohexyl]methanol?
The InChIKey is MIYQTOHPKWUJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-9-10(14-8-15-11(9)17-13)16-12(7-18)5-3-2-4-6-12/h8,18H,2-7,13H2,1H3,(H2,14,15,16,17).
What are the key properties of [1-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]cyclohexyl]methanol?
[1-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]cyclohexyl]methanol has a molecular weight of 251.33 g/mol, XLogP of 1.18, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]cyclohexyl]methanol is sourced from PubChem (CID 80919373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).