5-fluoro-2-hydrazinyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-amine

C10H17FN6O — CID 80922605

IUPAC5-fluoro-2-hydrazinyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-amine
SMILESCN1CCOC(CNc2nc(NN)ncc2F)C1
InChIInChI=1S/C10H17FN6O/c1-17-2-3-18-7(6-17)4-13-9-8(11)5-14-10(15-9)16-12/h5,7H,2-4,6,12H2,1H3,(H2,13,14,15,16)
InChIKeySSTWWZDQXKHNNQ-UHFFFAOYSA-N
MW256.28 g/mol
LogP-0.36
Rot. Bonds4

About 5-fluoro-2-hydrazinyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-amine

5-fluoro-2-hydrazinyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-amine (PubChem CID 80922605) has the molecular formula C10H17FN6O and a molecular weight of 256.28 g/mol. Its IUPAC name is 5-fluoro-2-hydrazinyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-hydrazinyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-amine
PubChem CID80922605
Molecular FormulaC10H17FN6O
Molecular Weight256.28 g/mol
Exact Mass256.14
IUPAC Name5-fluoro-2-hydrazinyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-amine
SMILESCN1CCOC(CNc2nc(NN)ncc2F)C1
InChIInChI=1S/C10H17FN6O/c1-17-2-3-18-7(6-17)4-13-9-8(11)5-14-10(15-9)16-12/h5,7H,2-4,6,12H2,1H3,(H2,13,14,15,16)
InChIKeySSTWWZDQXKHNNQ-UHFFFAOYSA-N
XLogP-0.36
TPSA88.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 5-0.36
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-fluoro-2-hydrazinyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-hydrazinyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-amine (CID 80922605) is 5-fluoro-2-hydrazinyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-hydrazinyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-hydrazinyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-amine is CN1CCOC(CNc2nc(NN)ncc2F)C1.
What is the InChIKey of 5-fluoro-2-hydrazinyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is SSTWWZDQXKHNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN6O/c1-17-2-3-18-7(6-17)4-13-9-8(11)5-14-10(15-9)16-12/h5,7H,2-4,6,12H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-fluoro-2-hydrazinyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-amine?
5-fluoro-2-hydrazinyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 256.28 g/mol, XLogP of -0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-hydrazinyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80922605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).