3-[cyclobutyl-[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]propan-1-ol

C14H25N5O2 — CID 102875795

IUPAC3-[cyclobutyl-[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]propan-1-ol
SMILESCCOCc1nc(NN)cc(N(CCCO)C2CCC2)n1
InChIInChI=1S/C14H25N5O2/c1-2-21-10-13-16-12(18-15)9-14(17-13)19(7-4-8-20)11-5-3-6-11/h9,11,20H,2-8,10,15H2,1H3,(H,16,17,18)
InChIKeyZYMAKLVKONGTRL-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.04
Rot. Bonds9

About 3-[cyclobutyl-[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]propan-1-ol

3-[cyclobutyl-[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]propan-1-ol (PubChem CID 102875795) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-[cyclobutyl-[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[cyclobutyl-[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]propan-1-ol
PubChem CID102875795
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name3-[cyclobutyl-[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]propan-1-ol
SMILESCCOCc1nc(NN)cc(N(CCCO)C2CCC2)n1
InChIInChI=1S/C14H25N5O2/c1-2-21-10-13-16-12(18-15)9-14(17-13)19(7-4-8-20)11-5-3-6-11/h9,11,20H,2-8,10,15H2,1H3,(H,16,17,18)
InChIKeyZYMAKLVKONGTRL-UHFFFAOYSA-N
XLogP1.04
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

3-[cyclobutyl-(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propan-1-ol
CID 102875789
3-[cyclobutyl-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]propan-1-ol
CID 106776229
3-[[2-amino-6-(methylamino)pyrimidin-4-yl]-cyclobutylamino]propan-1-ol
CID 102875573
2-[cyclobutyl-(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]ethanol
CID 102875846
2-(ethoxymethyl)-6-hydrazinyl-N-methyl-N-[(2-methylcyclopropyl)methyl]pyrimidin-4-amine
CID 113401862
2-[cyclobutyl-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethanol
CID 102875838
2-(ethoxymethyl)-6-hydrazinyl-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine
CID 113401943
2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-cyclobutylamino]ethanol
CID 102875864
6-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]hexan-1-ol
CID 107854990
2-[cyclopentyl-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethanol
CID 80964712
2-[(2-amino-6-hydrazinylpyrimidin-4-yl)-cyclopropylamino]ethanol
CID 80904604
N-butyl-N-cyclopropyl-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80895719

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutyl-[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]propan-1-ol?
The IUPAC name of 3-[cyclobutyl-[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]propan-1-ol (CID 102875795) is 3-[cyclobutyl-[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[cyclobutyl-[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]propan-1-ol?
The canonical SMILES for 3-[cyclobutyl-[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]propan-1-ol is CCOCc1nc(NN)cc(N(CCCO)C2CCC2)n1.
What is the InChIKey of 3-[cyclobutyl-[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]propan-1-ol?
The InChIKey is ZYMAKLVKONGTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-2-21-10-13-16-12(18-15)9-14(17-13)19(7-4-8-20)11-5-3-6-11/h9,11,20H,2-8,10,15H2,1H3,(H,16,17,18).
What are the key properties of 3-[cyclobutyl-[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]propan-1-ol?
3-[cyclobutyl-[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]propan-1-ol has a molecular weight of 295.39 g/mol, XLogP of 1.04, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl-[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 102875795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).