4-[amino-(3-fluoro-2-pyridinyl)amino]-6-methylpyridin-3-amine

C11H12FN5 — CID 129152819

IUPAC4-[amino-(3-fluoro-2-pyridinyl)amino]-6-methylpyridin-3-amine
SMILESCc1cc(N(N)c2ncccc2F)c(N)cn1
InChIInChI=1S/C11H12FN5/c1-7-5-10(9(13)6-16-7)17(14)11-8(12)3-2-4-15-11/h2-6H,13-14H2,1H3
InChIKeyRNVQRWBGNWQFAQ-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.52
Rot. Bonds2

About 4-[amino-(3-fluoro-2-pyridinyl)amino]-6-methylpyridin-3-amine

4-[amino-(3-fluoro-2-pyridinyl)amino]-6-methylpyridin-3-amine (PubChem CID 129152819) has the molecular formula C11H12FN5 and a molecular weight of 233.25 g/mol. Its IUPAC name is 4-[amino-(3-fluoro-2-pyridinyl)amino]-6-methylpyridin-3-amine.

Molecular Properties

Compound Name4-[amino-(3-fluoro-2-pyridinyl)amino]-6-methylpyridin-3-amine
PubChem CID129152819
Molecular FormulaC11H12FN5
Molecular Weight233.25 g/mol
Exact Mass233.11
IUPAC Name4-[amino-(3-fluoro-2-pyridinyl)amino]-6-methylpyridin-3-amine
SMILESCc1cc(N(N)c2ncccc2F)c(N)cn1
InChIInChI=1S/C11H12FN5/c1-7-5-10(9(13)6-16-7)17(14)11-8(12)3-2-4-15-11/h2-6H,13-14H2,1H3
InChIKeyRNVQRWBGNWQFAQ-UHFFFAOYSA-N
XLogP1.52
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.52
H-Bond Donors ≤ 52
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 4-[amino-(3-fluoro-2-pyridinyl)amino]-6-methylpyridin-3-amine?
The IUPAC name of 4-[amino-(3-fluoro-2-pyridinyl)amino]-6-methylpyridin-3-amine (CID 129152819) is 4-[amino-(3-fluoro-2-pyridinyl)amino]-6-methylpyridin-3-amine.
What is the SMILES notation for 4-[amino-(3-fluoro-2-pyridinyl)amino]-6-methylpyridin-3-amine?
The canonical SMILES for 4-[amino-(3-fluoro-2-pyridinyl)amino]-6-methylpyridin-3-amine is Cc1cc(N(N)c2ncccc2F)c(N)cn1.
What is the InChIKey of 4-[amino-(3-fluoro-2-pyridinyl)amino]-6-methylpyridin-3-amine?
The InChIKey is RNVQRWBGNWQFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5/c1-7-5-10(9(13)6-16-7)17(14)11-8(12)3-2-4-15-11/h2-6H,13-14H2,1H3.
What are the key properties of 4-[amino-(3-fluoro-2-pyridinyl)amino]-6-methylpyridin-3-amine?
4-[amino-(3-fluoro-2-pyridinyl)amino]-6-methylpyridin-3-amine has a molecular weight of 233.25 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-(3-fluoro-2-pyridinyl)amino]-6-methylpyridin-3-amine is sourced from PubChem (CID 129152819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).