5-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)-methylamino]pentan-1-ol

C12H23N5O — CID 107207622

IUPAC5-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)-methylamino]pentan-1-ol
SMILESCc1nc(NN)c(C)c(N(C)CCCCCO)n1
InChIInChI=1S/C12H23N5O/c1-9-11(16-13)14-10(2)15-12(9)17(3)7-5-4-6-8-18/h18H,4-8,13H2,1-3H3,(H,14,15,16)
InChIKeyJFRWCCAXVWATKF-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.98
Rot. Bonds7

About 5-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)-methylamino]pentan-1-ol

5-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)-methylamino]pentan-1-ol (PubChem CID 107207622) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 5-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)-methylamino]pentan-1-ol
PubChem CID107207622
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name5-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)-methylamino]pentan-1-ol
SMILESCc1nc(NN)c(C)c(N(C)CCCCCO)n1
InChIInChI=1S/C12H23N5O/c1-9-11(16-13)14-10(2)15-12(9)17(3)7-5-4-6-8-18/h18H,4-8,13H2,1-3H3,(H,14,15,16)
InChIKeyJFRWCCAXVWATKF-UHFFFAOYSA-N
XLogP0.98
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 5-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)-methylamino]pentan-1-ol?
The IUPAC name of 5-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)-methylamino]pentan-1-ol (CID 107207622) is 5-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)-methylamino]pentan-1-ol?
The canonical SMILES for 5-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)-methylamino]pentan-1-ol is Cc1nc(NN)c(C)c(N(C)CCCCCO)n1.
What is the InChIKey of 5-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)-methylamino]pentan-1-ol?
The InChIKey is JFRWCCAXVWATKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-9-11(16-13)14-10(2)15-12(9)17(3)7-5-4-6-8-18/h18H,4-8,13H2,1-3H3,(H,14,15,16).
What are the key properties of 5-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)-methylamino]pentan-1-ol?
5-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)-methylamino]pentan-1-ol has a molecular weight of 253.35 g/mol, XLogP of 0.98, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)-methylamino]pentan-1-ol is sourced from PubChem (CID 107207622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).