2-[benzyl-(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethanol

C14H19N5O — CID 80908418

IUPAC2-[benzyl-(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethanol
SMILESCc1c(NN)ncnc1N(CCO)Cc1ccccc1
InChIInChI=1S/C14H19N5O/c1-11-13(18-15)16-10-17-14(11)19(7-8-20)9-12-5-3-2-4-6-12/h2-6,10,20H,7-9,15H2,1H3,(H,16,17,18)
InChIKeyFRMPPNKYOSGNDG-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.07
Rot. Bonds6

About 2-[benzyl-(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethanol

2-[benzyl-(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethanol (PubChem CID 80908418) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[benzyl-(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethanol
PubChem CID80908418
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-[benzyl-(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethanol
SMILESCc1c(NN)ncnc1N(CCO)Cc1ccccc1
InChIInChI=1S/C14H19N5O/c1-11-13(18-15)16-10-17-14(11)19(7-8-20)9-12-5-3-2-4-6-12/h2-6,10,20H,7-9,15H2,1H3,(H,16,17,18)
InChIKeyFRMPPNKYOSGNDG-UHFFFAOYSA-N
XLogP1.07
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.07
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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Related Compounds

N,N-dibenzyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 130162876
N-benzyl-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine
CID 80917919
2-[benzyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethanol
CID 103879721
2-[benzyl-(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethanol
CID 63727847
2-[benzyl(pyrido[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 110433912
2-[benzyl-(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]ethanol
CID 80908270
2-[(5-amino-6-hydrazinylpyrimidin-4-yl)-ethylamino]ethanol
CID 19141155
2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-benzylamino]ethanol
CID 80984868
N-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80896459
2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]ethanol
CID 80899078
4-N,4-N-dibenzyl-6-N-ethylpyrimidine-4,5,6-triamine
CID 19135166
3-[benzyl(2-hydroxyethyl)amino]-2-methylphenol
CID 141277151

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[benzyl-(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethanol (CID 80908418) is 2-[benzyl-(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[benzyl-(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[benzyl-(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethanol is Cc1c(NN)ncnc1N(CCO)Cc1ccccc1.
What is the InChIKey of 2-[benzyl-(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethanol?
The InChIKey is FRMPPNKYOSGNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-11-13(18-15)16-10-17-14(11)19(7-8-20)9-12-5-3-2-4-6-12/h2-6,10,20H,7-9,15H2,1H3,(H,16,17,18).
What are the key properties of 2-[benzyl-(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethanol?
2-[benzyl-(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethanol has a molecular weight of 273.34 g/mol, XLogP of 1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 80908418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).