2-(ethoxymethyl)-6-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine

C12H19N7O2 — CID 106424697

IUPAC2-(ethoxymethyl)-6-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCCOCc1nc(NN)cc(NCCc2noc(C)n2)n1
InChIInChI=1S/C12H19N7O2/c1-3-20-7-12-16-10(6-11(17-12)18-13)14-5-4-9-15-8(2)21-19-9/h6H,3-5,7,13H2,1-2H3,(H2,14,16,17,18)
InChIKeyFAUXOXQGXDTDFU-UHFFFAOYSA-N
MW293.33 g/mol
LogP0.64
Rot. Bonds8

About 2-(ethoxymethyl)-6-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine

2-(ethoxymethyl)-6-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine (PubChem CID 106424697) has the molecular formula C12H19N7O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-(ethoxymethyl)-6-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-6-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
PubChem CID106424697
Molecular FormulaC12H19N7O2
Molecular Weight293.33 g/mol
Exact Mass293.16
IUPAC Name2-(ethoxymethyl)-6-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCCOCc1nc(NN)cc(NCCc2noc(C)n2)n1
InChIInChI=1S/C12H19N7O2/c1-3-20-7-12-16-10(6-11(17-12)18-13)14-5-4-9-15-8(2)21-19-9/h6H,3-5,7,13H2,1-2H3,(H2,14,16,17,18)
InChIKeyFAUXOXQGXDTDFU-UHFFFAOYSA-N
XLogP0.64
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

6-N-ethyl-2-(methoxymethyl)-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106424198
6-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106424681
2-(ethoxymethyl)-6-hydrazinyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
CID 106043508
6-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]hexan-1-ol
CID 107854990
2-(ethoxymethyl)-6-N-ethyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106412236
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-amine
CID 106379040
1-(dimethylamino)-3-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 106150364
2-N-ethyl-6-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 106424174
2-(ethoxymethyl)-6-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine
CID 106294436
2-(ethoxymethyl)-6-N-methyl-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-4,6-diamine
CID 106411986
4-methyl-2-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,5-diamine
CID 106413974
6-hydrazinyl-2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106412529

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-6-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2-(ethoxymethyl)-6-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine (CID 106424697) is 2-(ethoxymethyl)-6-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-(ethoxymethyl)-6-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-(ethoxymethyl)-6-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine is CCOCc1nc(NN)cc(NCCc2noc(C)n2)n1.
What is the InChIKey of 2-(ethoxymethyl)-6-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
The InChIKey is FAUXOXQGXDTDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7O2/c1-3-20-7-12-16-10(6-11(17-12)18-13)14-5-4-9-15-8(2)21-19-9/h6H,3-5,7,13H2,1-2H3,(H2,14,16,17,18).
What are the key properties of 2-(ethoxymethyl)-6-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
2-(ethoxymethyl)-6-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine has a molecular weight of 293.33 g/mol, XLogP of 0.64, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-6-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 106424697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).