2-[cyclobutyl-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]amino]ethanol

C12H21N5O — CID 102870654

IUPAC2-[cyclobutyl-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]amino]ethanol
SMILESCc1cc(NN)nc(CN(CCO)C2CCC2)n1
InChIInChI=1S/C12H21N5O/c1-9-7-11(16-13)15-12(14-9)8-17(5-6-18)10-3-2-4-10/h7,10,18H,2-6,8,13H2,1H3,(H,14,15,16)
InChIKeyIPCBWMCRLRYVKZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.42
Rot. Bonds6

About 2-[cyclobutyl-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]amino]ethanol

2-[cyclobutyl-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]amino]ethanol (PubChem CID 102870654) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[cyclobutyl-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclobutyl-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]amino]ethanol
PubChem CID102870654
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-[cyclobutyl-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]amino]ethanol
SMILESCc1cc(NN)nc(CN(CCO)C2CCC2)n1
InChIInChI=1S/C12H21N5O/c1-9-7-11(16-13)15-12(14-9)8-17(5-6-18)10-3-2-4-10/h7,10,18H,2-6,8,13H2,1H3,(H,14,15,16)
InChIKeyIPCBWMCRLRYVKZ-UHFFFAOYSA-N
XLogP0.42
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.42
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-[cyclobutyl-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]amino]ethanol?
The IUPAC name of 2-[cyclobutyl-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]amino]ethanol (CID 102870654) is 2-[cyclobutyl-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[cyclobutyl-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[cyclobutyl-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]amino]ethanol is Cc1cc(NN)nc(CN(CCO)C2CCC2)n1.
What is the InChIKey of 2-[cyclobutyl-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]amino]ethanol?
The InChIKey is IPCBWMCRLRYVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-9-7-11(16-13)15-12(14-9)8-17(5-6-18)10-3-2-4-10/h7,10,18H,2-6,8,13H2,1H3,(H,14,15,16).
What are the key properties of 2-[cyclobutyl-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]amino]ethanol?
2-[cyclobutyl-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]amino]ethanol has a molecular weight of 251.33 g/mol, XLogP of 0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]amino]ethanol is sourced from PubChem (CID 102870654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).