6-hydrazinyl-N-[(4-methylmorpholin-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine

C13H24N6O — CID 80968899

IUPAC6-hydrazinyl-N-[(4-methylmorpholin-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(NN)cc(NCC2CN(C)CCO2)n1
InChIInChI=1S/C13H24N6O/c1-9(2)13-16-11(6-12(17-13)18-14)15-7-10-8-19(3)4-5-20-10/h6,9-10H,4-5,7-8,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyQETDVLRJENBMCR-UHFFFAOYSA-N
MW280.38 g/mol
LogP0.63
Rot. Bonds5

About 6-hydrazinyl-N-[(4-methylmorpholin-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine

6-hydrazinyl-N-[(4-methylmorpholin-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80968899) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is 6-hydrazinyl-N-[(4-methylmorpholin-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-[(4-methylmorpholin-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
PubChem CID80968899
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name6-hydrazinyl-N-[(4-methylmorpholin-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(NN)cc(NCC2CN(C)CCO2)n1
InChIInChI=1S/C13H24N6O/c1-9(2)13-16-11(6-12(17-13)18-14)15-7-10-8-19(3)4-5-20-10/h6,9-10H,4-5,7-8,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyQETDVLRJENBMCR-UHFFFAOYSA-N
XLogP0.63
TPSA88.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 50.63
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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Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-[(4-methylmorpholin-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-[(4-methylmorpholin-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine (CID 80968899) is 6-hydrazinyl-N-[(4-methylmorpholin-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-[(4-methylmorpholin-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-[(4-methylmorpholin-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(NN)cc(NCC2CN(C)CCO2)n1.
What is the InChIKey of 6-hydrazinyl-N-[(4-methylmorpholin-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is QETDVLRJENBMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-9(2)13-16-11(6-12(17-13)18-14)15-7-10-8-19(3)4-5-20-10/h6,9-10H,4-5,7-8,14H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 6-hydrazinyl-N-[(4-methylmorpholin-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine?
6-hydrazinyl-N-[(4-methylmorpholin-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 280.38 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-[(4-methylmorpholin-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80968899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).