2-[cyclobutyl-(5-nitropyrimidin-2-yl)amino]ethanol

C10H14N4O3 — CID 102675262

IUPAC2-[cyclobutyl-(5-nitropyrimidin-2-yl)amino]ethanol
SMILESO=[N+]([O-])c1cnc(N(CCO)C2CCC2)nc1
InChIInChI=1S/C10H14N4O3/c15-5-4-13(8-2-1-3-8)10-11-6-9(7-12-10)14(16)17/h6-8,15H,1-5H2
InChIKeyUPMHKLRVZVQAKP-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.74
Rot. Bonds5

About 2-[cyclobutyl-(5-nitropyrimidin-2-yl)amino]ethanol

2-[cyclobutyl-(5-nitropyrimidin-2-yl)amino]ethanol (PubChem CID 102675262) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-[cyclobutyl-(5-nitropyrimidin-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclobutyl-(5-nitropyrimidin-2-yl)amino]ethanol
PubChem CID102675262
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name2-[cyclobutyl-(5-nitropyrimidin-2-yl)amino]ethanol
SMILESO=[N+]([O-])c1cnc(N(CCO)C2CCC2)nc1
InChIInChI=1S/C10H14N4O3/c15-5-4-13(8-2-1-3-8)10-11-6-9(7-12-10)14(16)17/h6-8,15H,1-5H2
InChIKeyUPMHKLRVZVQAKP-UHFFFAOYSA-N
XLogP0.74
TPSA92.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[cyclobutyl-(3-methyl-5-nitro-2-pyridinyl)amino]ethanol
CID 102869000
2-[(5-aminopyrimidin-2-yl)-cyclobutylamino]ethanol
CID 102859565
4-N-(5-nitropyrimidin-2-yl)-4-N-propylcyclohexane-1,4-diamine
CID 79111606
2-[(6-chloro-4-nitro-2-pyridinyl)-cyclobutylamino]ethanol
CID 102675312
2-[cyclohexyl-(6-nitro-3-pyridinyl)amino]ethanol
CID 62543247
N-ethyl-5-nitro-N-piperidin-3-ylpyrimidin-2-amine
CID 63638105
2-[N-cyclobutyl-2-(hydroxymethyl)-4-nitroanilino]ethanol
CID 102864279
2-(N-cyclobutyl-3-ethoxy-5-nitroanilino)ethanol
CID 102869080
2-[N-cyclobutyl-4-nitro-2-(trifluoromethyl)anilino]ethanol
CID 102869037
2-[cyclopentyl-(3-nitro-2-pyridinyl)amino]ethanol
CID 54998817
2-(3-amino-N-cyclohexyl-5-nitroanilino)ethanol
CID 80811348
1-[2-[cyclobutyl(2-hydroxyethyl)amino]-5-nitrophenyl]ethanone
CID 102863301

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl-(5-nitropyrimidin-2-yl)amino]ethanol?
The IUPAC name of 2-[cyclobutyl-(5-nitropyrimidin-2-yl)amino]ethanol (CID 102675262) is 2-[cyclobutyl-(5-nitropyrimidin-2-yl)amino]ethanol.
What is the SMILES notation for 2-[cyclobutyl-(5-nitropyrimidin-2-yl)amino]ethanol?
The canonical SMILES for 2-[cyclobutyl-(5-nitropyrimidin-2-yl)amino]ethanol is O=[N+]([O-])c1cnc(N(CCO)C2CCC2)nc1.
What is the InChIKey of 2-[cyclobutyl-(5-nitropyrimidin-2-yl)amino]ethanol?
The InChIKey is UPMHKLRVZVQAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c15-5-4-13(8-2-1-3-8)10-11-6-9(7-12-10)14(16)17/h6-8,15H,1-5H2.
What are the key properties of 2-[cyclobutyl-(5-nitropyrimidin-2-yl)amino]ethanol?
2-[cyclobutyl-(5-nitropyrimidin-2-yl)amino]ethanol has a molecular weight of 238.25 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-(5-nitropyrimidin-2-yl)amino]ethanol is sourced from PubChem (CID 102675262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).