5-fluoro-2-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine

C11H18FN5O — CID 80909789

IUPAC5-fluoro-2-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine
SMILESCN(CC1CCOCC1)c1nc(NN)ncc1F
InChIInChI=1S/C11H18FN5O/c1-17(7-8-2-4-18-5-3-8)10-9(12)6-14-11(15-10)16-13/h6,8H,2-5,7,13H2,1H3,(H,14,15,16)
InChIKeyHNZSMTAFRXJMJJ-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.76
Rot. Bonds4

About 5-fluoro-2-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine

5-fluoro-2-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine (PubChem CID 80909789) has the molecular formula C11H18FN5O and a molecular weight of 255.30 g/mol. Its IUPAC name is 5-fluoro-2-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine
PubChem CID80909789
Molecular FormulaC11H18FN5O
Molecular Weight255.30 g/mol
Exact Mass255.15
IUPAC Name5-fluoro-2-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine
SMILESCN(CC1CCOCC1)c1nc(NN)ncc1F
InChIInChI=1S/C11H18FN5O/c1-17(7-8-2-4-18-5-3-8)10-9(12)6-14-11(15-10)16-13/h6,8H,2-5,7,13H2,1H3,(H,14,15,16)
InChIKeyHNZSMTAFRXJMJJ-UHFFFAOYSA-N
XLogP0.76
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.76
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine (CID 80909789) is 5-fluoro-2-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine is CN(CC1CCOCC1)c1nc(NN)ncc1F.
What is the InChIKey of 5-fluoro-2-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine?
The InChIKey is HNZSMTAFRXJMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN5O/c1-17(7-8-2-4-18-5-3-8)10-9(12)6-14-11(15-10)16-13/h6,8H,2-5,7,13H2,1H3,(H,14,15,16).
What are the key properties of 5-fluoro-2-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine?
5-fluoro-2-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine has a molecular weight of 255.30 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 80909789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).