1-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol

C13H23N5O — CID 80915307

IUPAC1-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
SMILESCc1c(NN)ncnc1NCC1(O)CCC(C)CC1
InChIInChI=1S/C13H23N5O/c1-9-3-5-13(19,6-4-9)7-15-11-10(2)12(18-14)17-8-16-11/h8-9,19H,3-7,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyVEMIVIDMZQZTBQ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.42
Rot. Bonds4

About 1-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol

1-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol (PubChem CID 80915307) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
PubChem CID80915307
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name1-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
SMILESCc1c(NN)ncnc1NCC1(O)CCC(C)CC1
InChIInChI=1S/C13H23N5O/c1-9-3-5-13(19,6-4-9)7-15-11-10(2)12(18-14)17-8-16-11/h8-9,19H,3-7,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyVEMIVIDMZQZTBQ-UHFFFAOYSA-N
XLogP1.42
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.42
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]methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol (CID 80915307) is 1-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol is Cc1c(NN)ncnc1NCC1(O)CCC(C)CC1.
What is the InChIKey of 1-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol?
The InChIKey is VEMIVIDMZQZTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-9-3-5-13(19,6-4-9)7-15-11-10(2)12(18-14)17-8-16-11/h8-9,19H,3-7,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 1-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol?
1-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol has a molecular weight of 265.36 g/mol, XLogP of 1.42, 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]methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 80915307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).