5-fluoro-2-hydrazinyl-N-(4-methylpentan-2-yl)pyrimidin-4-amine

C10H18FN5 — CID 80894059

IUPAC5-fluoro-2-hydrazinyl-N-(4-methylpentan-2-yl)pyrimidin-4-amine
SMILESCC(C)CC(C)Nc1nc(NN)ncc1F
InChIInChI=1S/C10H18FN5/c1-6(2)4-7(3)14-9-8(11)5-13-10(15-9)16-12/h5-7H,4,12H2,1-3H3,(H2,13,14,15,16)
InChIKeyGMUMPPJFMNESGK-UHFFFAOYSA-N
MW227.29 g/mol
LogP1.75
Rot. Bonds5

About 5-fluoro-2-hydrazinyl-N-(4-methylpentan-2-yl)pyrimidin-4-amine

5-fluoro-2-hydrazinyl-N-(4-methylpentan-2-yl)pyrimidin-4-amine (PubChem CID 80894059) has the molecular formula C10H18FN5 and a molecular weight of 227.29 g/mol. Its IUPAC name is 5-fluoro-2-hydrazinyl-N-(4-methylpentan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-hydrazinyl-N-(4-methylpentan-2-yl)pyrimidin-4-amine
PubChem CID80894059
Molecular FormulaC10H18FN5
Molecular Weight227.29 g/mol
Exact Mass227.15
IUPAC Name5-fluoro-2-hydrazinyl-N-(4-methylpentan-2-yl)pyrimidin-4-amine
SMILESCC(C)CC(C)Nc1nc(NN)ncc1F
InChIInChI=1S/C10H18FN5/c1-6(2)4-7(3)14-9-8(11)5-13-10(15-9)16-12/h5-7H,4,12H2,1-3H3,(H2,13,14,15,16)
InChIKeyGMUMPPJFMNESGK-UHFFFAOYSA-N
XLogP1.75
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-methylpentan-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-hydrazinyl-N-(4-methylpentan-2-yl)pyrimidin-4-amine (CID 80894059) is 5-fluoro-2-hydrazinyl-N-(4-methylpentan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-hydrazinyl-N-(4-methylpentan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-hydrazinyl-N-(4-methylpentan-2-yl)pyrimidin-4-amine is CC(C)CC(C)Nc1nc(NN)ncc1F.
What is the InChIKey of 5-fluoro-2-hydrazinyl-N-(4-methylpentan-2-yl)pyrimidin-4-amine?
The InChIKey is GMUMPPJFMNESGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN5/c1-6(2)4-7(3)14-9-8(11)5-13-10(15-9)16-12/h5-7H,4,12H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 5-fluoro-2-hydrazinyl-N-(4-methylpentan-2-yl)pyrimidin-4-amine?
5-fluoro-2-hydrazinyl-N-(4-methylpentan-2-yl)pyrimidin-4-amine has a molecular weight of 227.29 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-hydrazinyl-N-(4-methylpentan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 80894059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).