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

C12H21N5O2 — CID 80937066

IUPACmethyl 2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutanoate
SMILESCCc1nc(NN)cc(NC(C(=O)OC)C(C)C)n1
InChIInChI=1S/C12H21N5O2/c1-5-8-14-9(6-10(15-8)17-13)16-11(7(2)3)12(18)19-4/h6-7,11H,5,13H2,1-4H3,(H2,14,15,16,17)
InChIKeyAKCUNABTBZUWTP-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.93
Rot. Bonds6

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

methyl 2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutanoate (PubChem CID 80937066) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl 2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutanoate
PubChem CID80937066
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Namemethyl 2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutanoate
SMILESCCc1nc(NN)cc(NC(C(=O)OC)C(C)C)n1
InChIInChI=1S/C12H21N5O2/c1-5-8-14-9(6-10(15-8)17-13)16-11(7(2)3)12(18)19-4/h6-7,11H,5,13H2,1-4H3,(H2,14,15,16,17)
InChIKeyAKCUNABTBZUWTP-UHFFFAOYSA-N
XLogP0.93
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.93
H-Bond Donors ≤ 53
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

2-ethyl-6-hydrazinyl-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 80940815
2-ethyl-6-hydrazinyl-N-propan-2-ylpyrimidin-4-amine
CID 80937642
methyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate
CID 80947630
2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propane-1,3-diol
CID 80937394
2-ethyl-6-hydrazinyl-N-pentan-2-ylpyrimidin-4-amine
CID 80940178
methyl 2-[(6-amino-2-ethylpyrimidin-4-yl)amino]propanoate
CID 80935382
2-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106347615
methyl 2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-3-methylbutanoate
CID 80961310
2-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-3-methylbutanamide
CID 106347563
N-(dicyclopropylmethyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80937603
2-ethyl-6-hydrazinyl-N-[2-(2-methoxyethoxy)ethyl]pyrimidin-4-amine
CID 80938072
N-(1-cyclohexylethyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80936916

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutanoate?
The IUPAC name of methyl 2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutanoate (CID 80937066) is methyl 2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutanoate is CCc1nc(NN)cc(NC(C(=O)OC)C(C)C)n1.
What is the InChIKey of methyl 2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutanoate?
The InChIKey is AKCUNABTBZUWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-5-8-14-9(6-10(15-8)17-13)16-11(7(2)3)12(18)19-4/h6-7,11H,5,13H2,1-4H3,(H2,14,15,16,17).
What are the key properties of methyl 2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutanoate?
methyl 2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutanoate has a molecular weight of 267.33 g/mol, XLogP of 0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutanoate is sourced from PubChem (CID 80937066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).