2-ethyl-2-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]butan-1-ol

C13H25N5O — CID 114164988

IUPAC2-ethyl-2-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNc1nc(C)nc(NN)c1C
InChIInChI=1S/C13H25N5O/c1-5-13(6-2,8-19)7-15-11-9(3)12(18-14)17-10(4)16-11/h19H,5-8,14H2,1-4H3,(H2,15,16,17,18)
InChIKeyWWSFILMATAACRE-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.59
Rot. Bonds7

About 2-ethyl-2-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]butan-1-ol

2-ethyl-2-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]butan-1-ol (PubChem CID 114164988) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-ethyl-2-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]butan-1-ol
PubChem CID114164988
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name2-ethyl-2-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNc1nc(C)nc(NN)c1C
InChIInChI=1S/C13H25N5O/c1-5-13(6-2,8-19)7-15-11-9(3)12(18-14)17-10(4)16-11/h19H,5-8,14H2,1-4H3,(H2,15,16,17,18)
InChIKeyWWSFILMATAACRE-UHFFFAOYSA-N
XLogP1.59
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.59
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'}

Analyze 2-ethyl-2-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]butan-1-ol with MolForge

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Related Compounds

2-ethyl-2-[[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]butan-1-ol
CID 106256710
2-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]ethanol
CID 80932442
2-[[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106258482
1-(dimethylamino)-3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 114150415
6-hydrazinyl-2,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine
CID 106294474
N'-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)-N,N,2,2-tetramethylpropane-1,3-diamine
CID 80932586
6-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]hexan-1-ol
CID 107855008
1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylbutan-2-ol
CID 81006589
3-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106118681
2-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106257430
5-[(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106150303
6-hydrazinyl-2,5-dimethyl-N-(2-methylbutyl)pyrimidin-4-amine
CID 80918838

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]butan-1-ol (CID 114164988) is 2-ethyl-2-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]butan-1-ol is CCC(CC)(CO)CNc1nc(C)nc(NN)c1C.
What is the InChIKey of 2-ethyl-2-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]butan-1-ol?
The InChIKey is WWSFILMATAACRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-5-13(6-2,8-19)7-15-11-9(3)12(18-14)17-10(4)16-11/h19H,5-8,14H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 2-ethyl-2-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]butan-1-ol?
2-ethyl-2-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]butan-1-ol has a molecular weight of 267.38 g/mol, XLogP of 1.59, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]butan-1-ol is sourced from PubChem (CID 114164988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).