2-(ethoxymethyl)-6-hydrazinyl-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine

C12H21N5O2 — CID 113401943

IUPAC2-(ethoxymethyl)-6-hydrazinyl-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine
SMILESCCOCc1nc(NN)cc(N(C)C2CCOC2)n1
InChIInChI=1S/C12H21N5O2/c1-3-18-8-11-14-10(16-13)6-12(15-11)17(2)9-4-5-19-7-9/h6,9H,3-5,7-8,13H2,1-2H3,(H,14,15,16)
InChIKeySEUVJXBUPXLSLG-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.52
Rot. Bonds6

About 2-(ethoxymethyl)-6-hydrazinyl-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine

2-(ethoxymethyl)-6-hydrazinyl-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine (PubChem CID 113401943) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(ethoxymethyl)-6-hydrazinyl-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-6-hydrazinyl-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine
PubChem CID113401943
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name2-(ethoxymethyl)-6-hydrazinyl-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine
SMILESCCOCc1nc(NN)cc(N(C)C2CCOC2)n1
InChIInChI=1S/C12H21N5O2/c1-3-18-8-11-14-10(16-13)6-12(15-11)17(2)9-4-5-19-7-9/h6,9H,3-5,7-8,13H2,1-2H3,(H,14,15,16)
InChIKeySEUVJXBUPXLSLG-UHFFFAOYSA-N
XLogP0.52
TPSA85.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.52
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-6-hydrazinyl-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine?
The IUPAC name of 2-(ethoxymethyl)-6-hydrazinyl-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine (CID 113401943) is 2-(ethoxymethyl)-6-hydrazinyl-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(ethoxymethyl)-6-hydrazinyl-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(ethoxymethyl)-6-hydrazinyl-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine is CCOCc1nc(NN)cc(N(C)C2CCOC2)n1.
What is the InChIKey of 2-(ethoxymethyl)-6-hydrazinyl-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine?
The InChIKey is SEUVJXBUPXLSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-3-18-8-11-14-10(16-13)6-12(15-11)17(2)9-4-5-19-7-9/h6,9H,3-5,7-8,13H2,1-2H3,(H,14,15,16).
What are the key properties of 2-(ethoxymethyl)-6-hydrazinyl-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine?
2-(ethoxymethyl)-6-hydrazinyl-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine has a molecular weight of 267.33 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-6-hydrazinyl-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 113401943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).