5-fluoro-2-hydrazinyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine

C10H14FN7 — CID 80914705

IUPAC5-fluoro-2-hydrazinyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
SMILESCN(Cc1nccn1C)c1nc(NN)ncc1F
InChIInChI=1S/C10H14FN7/c1-17-4-3-13-8(17)6-18(2)9-7(11)5-14-10(15-9)16-12/h3-5H,6,12H2,1-2H3,(H,14,15,16)
InChIKeyQCUYBWLSVVEBOW-UHFFFAOYSA-N
MW251.27 g/mol
LogP0.27
Rot. Bonds4

About 5-fluoro-2-hydrazinyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine

5-fluoro-2-hydrazinyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine (PubChem CID 80914705) has the molecular formula C10H14FN7 and a molecular weight of 251.27 g/mol. Its IUPAC name is 5-fluoro-2-hydrazinyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-hydrazinyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
PubChem CID80914705
Molecular FormulaC10H14FN7
Molecular Weight251.27 g/mol
Exact Mass251.13
IUPAC Name5-fluoro-2-hydrazinyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
SMILESCN(Cc1nccn1C)c1nc(NN)ncc1F
InChIInChI=1S/C10H14FN7/c1-17-4-3-13-8(17)6-18(2)9-7(11)5-14-10(15-9)16-12/h3-5H,6,12H2,1-2H3,(H,14,15,16)
InChIKeyQCUYBWLSVVEBOW-UHFFFAOYSA-N
XLogP0.27
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 50.27
H-Bond Donors ≤ 52
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-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-hydrazinyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine (CID 80914705) is 5-fluoro-2-hydrazinyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-hydrazinyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-hydrazinyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine is CN(Cc1nccn1C)c1nc(NN)ncc1F.
What is the InChIKey of 5-fluoro-2-hydrazinyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is QCUYBWLSVVEBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN7/c1-17-4-3-13-8(17)6-18(2)9-7(11)5-14-10(15-9)16-12/h3-5H,6,12H2,1-2H3,(H,14,15,16).
What are the key properties of 5-fluoro-2-hydrazinyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine?
5-fluoro-2-hydrazinyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 251.27 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-hydrazinyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80914705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).