2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol

C12H21N5O — CID 102640226

IUPAC2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol
SMILESCc1c(NN)ncnc1N(C)C1CCCCC1O
InChIInChI=1S/C12H21N5O/c1-8-11(16-13)14-7-15-12(8)17(2)9-5-3-4-6-10(9)18/h7,9-10,18H,3-6,13H2,1-2H3,(H,14,15,16)
InChIKeyVFOIGRSEZGWCNW-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.81
Rot. Bonds3

About 2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol

2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol (PubChem CID 102640226) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol
PubChem CID102640226
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol
SMILESCc1c(NN)ncnc1N(C)C1CCCCC1O
InChIInChI=1S/C12H21N5O/c1-8-11(16-13)14-7-15-12(8)17(2)9-5-3-4-6-10(9)18/h7,9-10,18H,3-6,13H2,1-2H3,(H,14,15,16)
InChIKeyVFOIGRSEZGWCNW-UHFFFAOYSA-N
XLogP0.81
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.81
H-Bond Donors ≤ 53
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-methylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol (CID 102640226) is 2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol is Cc1c(NN)ncnc1N(C)C1CCCCC1O.
What is the InChIKey of 2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol?
The InChIKey is VFOIGRSEZGWCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-8-11(16-13)14-7-15-12(8)17(2)9-5-3-4-6-10(9)18/h7,9-10,18H,3-6,13H2,1-2H3,(H,14,15,16).
What are the key properties of 2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol?
2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol has a molecular weight of 251.33 g/mol, XLogP of 0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102640226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).