1-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol

C15H27N5O — CID 80908971

IUPAC1-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCc1nc(NN)c(C)c(NCC2(O)CCC(C)(C)CC2)n1
InChIInChI=1S/C15H27N5O/c1-10-12(18-11(2)19-13(10)20-16)17-9-15(21)7-5-14(3,4)6-8-15/h21H,5-9,16H2,1-4H3,(H2,17,18,19,20)
InChIKeyFONYUZNJTGSOCY-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.12
Rot. Bonds4

About 1-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol

1-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol (PubChem CID 80908971) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
PubChem CID80908971
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name1-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCc1nc(NN)c(C)c(NCC2(O)CCC(C)(C)CC2)n1
InChIInChI=1S/C15H27N5O/c1-10-12(18-11(2)19-13(10)20-16)17-9-15(21)7-5-14(3,4)6-8-15/h21H,5-9,16H2,1-4H3,(H2,17,18,19,20)
InChIKeyFONYUZNJTGSOCY-UHFFFAOYSA-N
XLogP2.12
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.12
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-2,5-dimethylpyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol (CID 80908971) is 1-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol is Cc1nc(NN)c(C)c(NCC2(O)CCC(C)(C)CC2)n1.
What is the InChIKey of 1-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
The InChIKey is FONYUZNJTGSOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-10-12(18-11(2)19-13(10)20-16)17-9-15(21)7-5-14(3,4)6-8-15/h21H,5-9,16H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 1-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
1-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol has a molecular weight of 293.41 g/mol, XLogP of 2.12, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 80908971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).