5-bromo-2-hydrazinyl-N-(1-morpholin-4-ylpropan-2-yl)pyrimidin-4-amine

C11H19BrN6O — CID 80897348

IUPAC5-bromo-2-hydrazinyl-N-(1-morpholin-4-ylpropan-2-yl)pyrimidin-4-amine
SMILESCC(CN1CCOCC1)Nc1nc(NN)ncc1Br
InChIInChI=1S/C11H19BrN6O/c1-8(7-18-2-4-19-5-3-18)15-10-9(12)6-14-11(16-10)17-13/h6,8H,2-5,7,13H2,1H3,(H2,14,15,16,17)
InChIKeyGDNKJNRWMHRDRA-UHFFFAOYSA-N
MW331.22 g/mol
LogP0.66
Rot. Bonds5

About 5-bromo-2-hydrazinyl-N-(1-morpholin-4-ylpropan-2-yl)pyrimidin-4-amine

5-bromo-2-hydrazinyl-N-(1-morpholin-4-ylpropan-2-yl)pyrimidin-4-amine (PubChem CID 80897348) has the molecular formula C11H19BrN6O and a molecular weight of 331.22 g/mol. Its IUPAC name is 5-bromo-2-hydrazinyl-N-(1-morpholin-4-ylpropan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-hydrazinyl-N-(1-morpholin-4-ylpropan-2-yl)pyrimidin-4-amine
PubChem CID80897348
Molecular FormulaC11H19BrN6O
Molecular Weight331.22 g/mol
Exact Mass330.08
IUPAC Name5-bromo-2-hydrazinyl-N-(1-morpholin-4-ylpropan-2-yl)pyrimidin-4-amine
SMILESCC(CN1CCOCC1)Nc1nc(NN)ncc1Br
InChIInChI=1S/C11H19BrN6O/c1-8(7-18-2-4-19-5-3-18)15-10-9(12)6-14-11(16-10)17-13/h6,8H,2-5,7,13H2,1H3,(H2,14,15,16,17)
InChIKeyGDNKJNRWMHRDRA-UHFFFAOYSA-N
XLogP0.66
TPSA88.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 50.66
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 5-bromo-2-hydrazinyl-N-(1-morpholin-4-ylpropan-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-hydrazinyl-N-(1-morpholin-4-ylpropan-2-yl)pyrimidin-4-amine (CID 80897348) is 5-bromo-2-hydrazinyl-N-(1-morpholin-4-ylpropan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-hydrazinyl-N-(1-morpholin-4-ylpropan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-hydrazinyl-N-(1-morpholin-4-ylpropan-2-yl)pyrimidin-4-amine is CC(CN1CCOCC1)Nc1nc(NN)ncc1Br.
What is the InChIKey of 5-bromo-2-hydrazinyl-N-(1-morpholin-4-ylpropan-2-yl)pyrimidin-4-amine?
The InChIKey is GDNKJNRWMHRDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN6O/c1-8(7-18-2-4-19-5-3-18)15-10-9(12)6-14-11(16-10)17-13/h6,8H,2-5,7,13H2,1H3,(H2,14,15,16,17).
What are the key properties of 5-bromo-2-hydrazinyl-N-(1-morpholin-4-ylpropan-2-yl)pyrimidin-4-amine?
5-bromo-2-hydrazinyl-N-(1-morpholin-4-ylpropan-2-yl)pyrimidin-4-amine has a molecular weight of 331.22 g/mol, XLogP of 0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydrazinyl-N-(1-morpholin-4-ylpropan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 80897348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).