5-ethyl-6-hydrazinyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine

C12H21N5O — CID 80906429

IUPAC5-ethyl-6-hydrazinyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine
SMILESCCc1c(NN)ncnc1N(C)C1CCOCC1
InChIInChI=1S/C12H21N5O/c1-3-10-11(16-13)14-8-15-12(10)17(2)9-4-6-18-7-5-9/h8-9H,3-7,13H2,1-2H3,(H,14,15,16)
InChIKeyGKEPOEXYAXLSGY-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.94
Rot. Bonds4

About 5-ethyl-6-hydrazinyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine

5-ethyl-6-hydrazinyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine (PubChem CID 80906429) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-ethyl-6-hydrazinyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-hydrazinyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine
PubChem CID80906429
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name5-ethyl-6-hydrazinyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine
SMILESCCc1c(NN)ncnc1N(C)C1CCOCC1
InChIInChI=1S/C12H21N5O/c1-3-10-11(16-13)14-8-15-12(10)17(2)9-4-6-18-7-5-9/h8-9H,3-7,13H2,1-2H3,(H,14,15,16)
InChIKeyGKEPOEXYAXLSGY-UHFFFAOYSA-N
XLogP0.94
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.94
H-Bond Donors ≤ 52
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 5-ethyl-6-hydrazinyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclopropylmethyl)-5-ethyl-6-hydrazinyl-N-methylpyrimidin-4-amine
CID 80899182
4-N-methyl-4-N-(oxan-4-yl)-5-propylpyrimidine-4,6-diamine
CID 80789465
6-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)-5-propylpyrimidin-4-amine
CID 80910226
4-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114954252
5-ethyl-6-hydrazinyl-N-methyl-N-pentan-3-ylpyrimidin-4-amine
CID 80906749
6-N-ethyl-4-N-methyl-4-N-(oxolan-3-yl)-5-propylpyrimidine-4,6-diamine
CID 82746096
N'-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 80909904
4-N,5-dimethyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine
CID 80789731
N-(1,1-dioxothiolan-3-yl)-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine
CID 80899134
N-cyclopropyl-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80932555
6-hydrazinyl-N,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine
CID 80927908
N'-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 80901167

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-hydrazinyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-hydrazinyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine (CID 80906429) is 5-ethyl-6-hydrazinyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-hydrazinyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-hydrazinyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine is CCc1c(NN)ncnc1N(C)C1CCOCC1.
What is the InChIKey of 5-ethyl-6-hydrazinyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine?
The InChIKey is GKEPOEXYAXLSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-3-10-11(16-13)14-8-15-12(10)17(2)9-4-6-18-7-5-9/h8-9H,3-7,13H2,1-2H3,(H,14,15,16).
What are the key properties of 5-ethyl-6-hydrazinyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine?
5-ethyl-6-hydrazinyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine has a molecular weight of 251.33 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-hydrazinyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 80906429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).