3-[[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-1-ol

C10H20N6O — CID 80926110

IUPAC3-[[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-1-ol
SMILESCCC(CCO)CNc1cc(NN)nc(N)n1
InChIInChI=1S/C10H20N6O/c1-2-7(3-4-17)6-13-8-5-9(16-12)15-10(11)14-8/h5,7,17H,2-4,6,12H2,1H3,(H4,11,13,14,15,16)
InChIKeyCQLCVUDEFVGAAF-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.16
Rot. Bonds7

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

3-[[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-1-ol (PubChem CID 80926110) has the molecular formula C10H20N6O and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-[[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-1-ol.

Molecular Properties

Compound Name3-[[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-1-ol
PubChem CID80926110
Molecular FormulaC10H20N6O
Molecular Weight240.31 g/mol
Exact Mass240.17
IUPAC Name3-[[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-1-ol
SMILESCCC(CCO)CNc1cc(NN)nc(N)n1
InChIInChI=1S/C10H20N6O/c1-2-7(3-4-17)6-13-8-5-9(16-12)15-10(11)14-8/h5,7,17H,2-4,6,12H2,1H3,(H4,11,13,14,15,16)
InChIKeyCQLCVUDEFVGAAF-UHFFFAOYSA-N
XLogP0.16
TPSA122.11 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.16
H-Bond Donors ≤ 55
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-[[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]pentan-1-ol
CID 80968493
3-[[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]methyl]hexan-1-ol
CID 106118665
3-[[(2-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-1-ol
CID 80926437
3-[[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-1-ol
CID 106772537
4-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 80968898
6-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]hexan-1-ol
CID 107855025
2-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]-1-cyclopropylethanol
CID 80913955
4-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 80921541
3-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-1-ol
CID 114565499
3-[[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]methyl]pentan-1-ol
CID 80951466
4-N-[3-(diethylamino)propyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80942866
3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]propane-1,2-diol
CID 80850604

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-1-ol?
The IUPAC name of 3-[[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-1-ol (CID 80926110) is 3-[[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-1-ol.
What is the SMILES notation for 3-[[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-1-ol?
The canonical SMILES for 3-[[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-1-ol is CCC(CCO)CNc1cc(NN)nc(N)n1.
What is the InChIKey of 3-[[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-1-ol?
The InChIKey is CQLCVUDEFVGAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6O/c1-2-7(3-4-17)6-13-8-5-9(16-12)15-10(11)14-8/h5,7,17H,2-4,6,12H2,1H3,(H4,11,13,14,15,16).
What are the key properties of 3-[[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-1-ol?
3-[[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-1-ol has a molecular weight of 240.31 g/mol, XLogP of 0.16, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-1-ol is sourced from PubChem (CID 80926110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).