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

C12H23N5O — CID 80937785

IUPAC3-[[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-3-ol
SMILESCCc1nc(NN)cc(NCC(O)(CC)CC)n1
InChIInChI=1S/C12H23N5O/c1-4-9-15-10(7-11(16-9)17-13)14-8-12(18,5-2)6-3/h7,18H,4-6,8,13H2,1-3H3,(H2,14,15,16,17)
InChIKeyCIIVHERFJUBMOV-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.29
Rot. Bonds7

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

3-[[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-3-ol (PubChem CID 80937785) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-[[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-3-ol
PubChem CID80937785
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name3-[[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-3-ol
SMILESCCc1nc(NN)cc(NCC(O)(CC)CC)n1
InChIInChI=1S/C12H23N5O/c1-4-9-15-10(7-11(16-9)17-13)14-8-12(18,5-2)6-3/h7,18H,4-6,8,13H2,1-3H3,(H2,14,15,16,17)
InChIKeyCIIVHERFJUBMOV-UHFFFAOYSA-N
XLogP1.29
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.29
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

1-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylbutan-2-ol
CID 80937784
3-[[(6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-3-ol
CID 80915064
3-[[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]methyl]pentan-3-ol
CID 80950175
2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 80937626
2-ethyl-6-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 80937540
1-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 106294502
2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]ethylurea
CID 83117256
2-ethyl-6-hydrazinyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
CID 115523284
1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106249072
2-[2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]ethoxy]ethanol
CID 80937148
2-ethyl-6-hydrazinyl-N-propan-2-ylpyrimidin-4-amine
CID 80937642
2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propane-1,3-diol
CID 80937394

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-3-ol (CID 80937785) is 3-[[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-3-ol is CCc1nc(NN)cc(NCC(O)(CC)CC)n1.
What is the InChIKey of 3-[[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-3-ol?
The InChIKey is CIIVHERFJUBMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-4-9-15-10(7-11(16-9)17-13)14-8-12(18,5-2)6-3/h7,18H,4-6,8,13H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 3-[[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-3-ol?
3-[[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-3-ol has a molecular weight of 253.35 g/mol, XLogP of 1.29, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-3-ol is sourced from PubChem (CID 80937785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).