2-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

C14H25N5O — CID 80915508

IUPAC2-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCC(C)c1c(NN)ncnc1NCC1CCCCC1O
InChIInChI=1S/C14H25N5O/c1-9(2)12-13(17-8-18-14(12)19-15)16-7-10-5-3-4-6-11(10)20/h8-11,20H,3-7,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyDVKUEYXLGGMDGG-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.85
Rot. Bonds5

About 2-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

2-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 80915508) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID80915508
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name2-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCC(C)c1c(NN)ncnc1NCC1CCCCC1O
InChIInChI=1S/C14H25N5O/c1-9(2)12-13(17-8-18-14(12)19-15)16-7-10-5-3-4-6-11(10)20/h8-11,20H,3-7,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyDVKUEYXLGGMDGG-UHFFFAOYSA-N
XLogP1.85
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.85
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 2-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (CID 80915508) is 2-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is CC(C)c1c(NN)ncnc1NCC1CCCCC1O.
What is the InChIKey of 2-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is DVKUEYXLGGMDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-9(2)12-13(17-8-18-14(12)19-15)16-7-10-5-3-4-6-11(10)20/h8-11,20H,3-7,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
2-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 279.39 g/mol, XLogP of 1.85, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 80915508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).