3-[[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]pentan-1-ol

C13H25N5O — CID 80968493

IUPAC3-[[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]pentan-1-ol
SMILESCCC(CCO)CNc1cc(NN)nc(C(C)C)n1
InChIInChI=1S/C13H25N5O/c1-4-10(5-6-19)8-15-11-7-12(18-14)17-13(16-11)9(2)3/h7,9-10,19H,4-6,8,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyAHEVMNLOILCGEU-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.71
Rot. Bonds8

About 3-[[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]pentan-1-ol

3-[[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]pentan-1-ol (PubChem CID 80968493) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 3-[[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]pentan-1-ol.

Molecular Properties

Compound Name3-[[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]pentan-1-ol
PubChem CID80968493
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name3-[[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]pentan-1-ol
SMILESCCC(CCO)CNc1cc(NN)nc(C(C)C)n1
InChIInChI=1S/C13H25N5O/c1-4-10(5-6-19)8-15-11-7-12(18-14)17-13(16-11)9(2)3/h7,9-10,19H,4-6,8,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyAHEVMNLOILCGEU-UHFFFAOYSA-N
XLogP1.71
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.71
H-Bond Donors ≤ 54
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

3-[[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-1-ol
CID 80926110
3-[[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 114145570
6-hydrazinyl-N-(3-methylbutyl)-2-propan-2-ylpyrimidin-4-amine
CID 80969046
3-[[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]methyl]hexan-1-ol
CID 106118665
4-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 80968898
3-[[(2-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-1-ol
CID 80926437
4-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 80921541
N-ethyl-2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylacetamide
CID 114133543
3-[[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-1-ol
CID 106772537
N-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 80969220
1-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol
CID 80969009
6-hydrazinyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 80964286

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]pentan-1-ol?
The IUPAC name of 3-[[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]pentan-1-ol (CID 80968493) is 3-[[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]pentan-1-ol.
What is the SMILES notation for 3-[[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]pentan-1-ol?
The canonical SMILES for 3-[[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]pentan-1-ol is CCC(CCO)CNc1cc(NN)nc(C(C)C)n1.
What is the InChIKey of 3-[[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]pentan-1-ol?
The InChIKey is AHEVMNLOILCGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-4-10(5-6-19)8-15-11-7-12(18-14)17-13(16-11)9(2)3/h7,9-10,19H,4-6,8,14H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 3-[[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]pentan-1-ol?
3-[[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]pentan-1-ol has a molecular weight of 267.38 g/mol, XLogP of 1.71, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]pentan-1-ol is sourced from PubChem (CID 80968493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).