3-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]-3-methylbutanamide

C12H22N6O2 — CID 114143246

IUPAC3-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]-3-methylbutanamide
SMILESCCOCc1nc(NN)cc(NC(C)(C)CC(N)=O)n1
InChIInChI=1S/C12H22N6O2/c1-4-20-7-11-15-9(5-10(16-11)18-14)17-12(2,3)6-8(13)19/h5H,4,6-7,14H2,1-3H3,(H2,13,19)(H2,15,16,17,18)
InChIKeyOMFZHQMKMVGDQP-UHFFFAOYSA-N
MW282.35 g/mol
LogP0.36
Rot. Bonds8

About 3-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]-3-methylbutanamide

3-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]-3-methylbutanamide (PubChem CID 114143246) has the molecular formula C12H22N6O2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 3-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]-3-methylbutanamide
PubChem CID114143246
Molecular FormulaC12H22N6O2
Molecular Weight282.35 g/mol
Exact Mass282.18
IUPAC Name3-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]-3-methylbutanamide
SMILESCCOCc1nc(NN)cc(NC(C)(C)CC(N)=O)n1
InChIInChI=1S/C12H22N6O2/c1-4-20-7-11-15-9(5-10(16-11)18-14)17-12(2,3)6-8(13)19/h5H,4,6-7,14H2,1-3H3,(H2,13,19)(H2,15,16,17,18)
InChIKeyOMFZHQMKMVGDQP-UHFFFAOYSA-N
XLogP0.36
TPSA128.18 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 50.36
H-Bond Donors ≤ 54
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-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098870
6-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]hexan-1-ol
CID 107854990
3-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]-3-methylbutanamide
CID 106098719
3-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]propanamide
CID 113401379
3-[[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]methyl]hexan-1-ol
CID 106118665
1-(dimethylamino)-3-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 106150364
2-(ethoxymethyl)-6-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine
CID 106294436
4-N-tert-butyl-2-(ethoxymethyl)-6-N-ethylpyrimidine-4,6-diamine
CID 113401247
2-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]-ethylamino]acetamide
CID 103104342
3-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098086
methyl 3-[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]sulfanylpropanoate
CID 113402006
3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol
CID 106179231

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]-3-methylbutanamide?
The IUPAC name of 3-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]-3-methylbutanamide (CID 114143246) is 3-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]-3-methylbutanamide.
What is the SMILES notation for 3-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]-3-methylbutanamide?
The canonical SMILES for 3-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]-3-methylbutanamide is CCOCc1nc(NN)cc(NC(C)(C)CC(N)=O)n1.
What is the InChIKey of 3-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]-3-methylbutanamide?
The InChIKey is OMFZHQMKMVGDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O2/c1-4-20-7-11-15-9(5-10(16-11)18-14)17-12(2,3)6-8(13)19/h5H,4,6-7,14H2,1-3H3,(H2,13,19)(H2,15,16,17,18).
What are the key properties of 3-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]-3-methylbutanamide?
3-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]-3-methylbutanamide has a molecular weight of 282.35 g/mol, XLogP of 0.36, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]-3-methylbutanamide is sourced from PubChem (CID 114143246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).