2-[cyclobutyl-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethanol

C13H21N5O — CID 102875838

IUPAC2-[cyclobutyl-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethanol
SMILESNNc1cc(N(CCO)C2CCC2)nc(C2CC2)n1
InChIInChI=1S/C13H21N5O/c14-17-11-8-12(16-13(15-11)9-4-5-9)18(6-7-19)10-2-1-3-10/h8-10,19H,1-7,14H2,(H,15,16,17)
InChIKeyYMWUSKYHZQHQFX-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.99
Rot. Bonds6

About 2-[cyclobutyl-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethanol

2-[cyclobutyl-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethanol (PubChem CID 102875838) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[cyclobutyl-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclobutyl-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethanol
PubChem CID102875838
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name2-[cyclobutyl-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethanol
SMILESNNc1cc(N(CCO)C2CCC2)nc(C2CC2)n1
InChIInChI=1S/C13H21N5O/c14-17-11-8-12(16-13(15-11)9-4-5-9)18(6-7-19)10-2-1-3-10/h8-10,19H,1-7,14H2,(H,15,16,17)
InChIKeyYMWUSKYHZQHQFX-UHFFFAOYSA-N
XLogP0.99
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.99
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

2-[cyclopentyl-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethanol
CID 80964712
2-[cyclobutyl-(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]ethanol
CID 102875846
2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 80965192
2-[(2-amino-6-hydrazinylpyrimidin-4-yl)-cyclopropylamino]ethanol
CID 80904604
2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-cyclobutylamino]ethanol
CID 102875864
2-[cyclobutyl-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol
CID 102875854
2-[cyclopentyl-(6-hydrazinylpyrimidin-4-yl)amino]ethanol
CID 80905074
3-[(6-amino-2-cyclopropylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol
CID 102875552
3-[cyclobutyl-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]propan-1-ol
CID 106776229
3-[cyclobutyl-(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propan-1-ol
CID 102875789
2-[cyclobutyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 102875669
3-[cyclobutyl-[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]propan-1-ol
CID 102875795

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[cyclobutyl-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethanol (CID 102875838) is 2-[cyclobutyl-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[cyclobutyl-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[cyclobutyl-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethanol is NNc1cc(N(CCO)C2CCC2)nc(C2CC2)n1.
What is the InChIKey of 2-[cyclobutyl-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethanol?
The InChIKey is YMWUSKYHZQHQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c14-17-11-8-12(16-13(15-11)9-4-5-9)18(6-7-19)10-2-1-3-10/h8-10,19H,1-7,14H2,(H,15,16,17).
What are the key properties of 2-[cyclobutyl-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethanol?
2-[cyclobutyl-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethanol has a molecular weight of 263.34 g/mol, XLogP of 0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 102875838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).