4-[amino-(4-fluoro-2-pyridinyl)amino]-6-methyl-1,2,3,6-tetrahydropyridin-5-amine

C11H16FN5 — CID 144720446

IUPAC4-[amino-(4-fluoro-2-pyridinyl)amino]-6-methyl-1,2,3,6-tetrahydropyridin-5-amine
SMILESCC1NCCC(N(N)c2cc(F)ccn2)=C1N
InChIInChI=1S/C11H16FN5/c1-7-11(13)9(3-5-15-7)17(14)10-6-8(12)2-4-16-10/h2,4,6-7,15H,3,5,13-14H2,1H3
InChIKeyAMHLGJOZFRBSTM-UHFFFAOYSA-N
MW237.28 g/mol
LogP0.45
Rot. Bonds2

About 4-[amino-(4-fluoro-2-pyridinyl)amino]-6-methyl-1,2,3,6-tetrahydropyridin-5-amine

4-[amino-(4-fluoro-2-pyridinyl)amino]-6-methyl-1,2,3,6-tetrahydropyridin-5-amine (PubChem CID 144720446) has the molecular formula C11H16FN5 and a molecular weight of 237.28 g/mol. Its IUPAC name is 4-[amino-(4-fluoro-2-pyridinyl)amino]-6-methyl-1,2,3,6-tetrahydropyridin-5-amine.

Molecular Properties

Compound Name4-[amino-(4-fluoro-2-pyridinyl)amino]-6-methyl-1,2,3,6-tetrahydropyridin-5-amine
PubChem CID144720446
Molecular FormulaC11H16FN5
Molecular Weight237.28 g/mol
Exact Mass237.14
IUPAC Name4-[amino-(4-fluoro-2-pyridinyl)amino]-6-methyl-1,2,3,6-tetrahydropyridin-5-amine
SMILESCC1NCCC(N(N)c2cc(F)ccn2)=C1N
InChIInChI=1S/C11H16FN5/c1-7-11(13)9(3-5-15-7)17(14)10-6-8(12)2-4-16-10/h2,4,6-7,15H,3,5,13-14H2,1H3
InChIKeyAMHLGJOZFRBSTM-UHFFFAOYSA-N
XLogP0.45
TPSA80.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 50.45
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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Related Compounds

1-(4-fluoro-2-pyridinyl)-1-methylhydrazine
CID 53402889
3-[amino-[4-[3-fluoro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]amino]cyclohex-2-ene-1,2-diamine
CID 162739849
N-bromo-4-fluoro-N-methylpyridin-2-amine
CID 162690476
3-[amino-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]amino]-1-N-(oxetan-3-yl)cyclohex-2-ene-1,2-diamine
CID 162739870
N-(4-fluorophenyl)-N-methyl-4-pyrrolidin-2-ylpyridin-2-amine
CID 70943104
4-fluoro-2-[(2R)-pyrrolidin-2-yl]pyridine
CID 130713831
2-(azetidin-3-yloxy)-4-fluoropyridine
CID 164664024
5-(1-fluoropropan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydroxylamine
CID 145383424
4-(3-fluorophenyl)-3-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 83672719
6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 84702414
1-methyl-1,2,3,4-tetrahydroisoquinoline-5,6-diamine
CID 84656202
4-fluoro-2-propan-2-ylpyridine;methane
CID 162074293

Frequently Asked Questions

What is the IUPAC name of 4-[amino-(4-fluoro-2-pyridinyl)amino]-6-methyl-1,2,3,6-tetrahydropyridin-5-amine?
The IUPAC name of 4-[amino-(4-fluoro-2-pyridinyl)amino]-6-methyl-1,2,3,6-tetrahydropyridin-5-amine (CID 144720446) is 4-[amino-(4-fluoro-2-pyridinyl)amino]-6-methyl-1,2,3,6-tetrahydropyridin-5-amine.
What is the SMILES notation for 4-[amino-(4-fluoro-2-pyridinyl)amino]-6-methyl-1,2,3,6-tetrahydropyridin-5-amine?
The canonical SMILES for 4-[amino-(4-fluoro-2-pyridinyl)amino]-6-methyl-1,2,3,6-tetrahydropyridin-5-amine is CC1NCCC(N(N)c2cc(F)ccn2)=C1N.
What is the InChIKey of 4-[amino-(4-fluoro-2-pyridinyl)amino]-6-methyl-1,2,3,6-tetrahydropyridin-5-amine?
The InChIKey is AMHLGJOZFRBSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN5/c1-7-11(13)9(3-5-15-7)17(14)10-6-8(12)2-4-16-10/h2,4,6-7,15H,3,5,13-14H2,1H3.
What are the key properties of 4-[amino-(4-fluoro-2-pyridinyl)amino]-6-methyl-1,2,3,6-tetrahydropyridin-5-amine?
4-[amino-(4-fluoro-2-pyridinyl)amino]-6-methyl-1,2,3,6-tetrahydropyridin-5-amine has a molecular weight of 237.28 g/mol, XLogP of 0.45, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-(4-fluoro-2-pyridinyl)amino]-6-methyl-1,2,3,6-tetrahydropyridin-5-amine is sourced from PubChem (CID 144720446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).