5-fluoro-N-octylpyrimidin-2-amine

C12H20FN3 — CID 115765356

IUPAC5-fluoro-N-octylpyrimidin-2-amine
SMILESCCCCCCCCNc1ncc(F)cn1
InChIInChI=1S/C12H20FN3/c1-2-3-4-5-6-7-8-14-12-15-9-11(13)10-16-12/h9-10H,2-8H2,1H3,(H,14,15,16)
InChIKeyOTNIXPXKFSCOLR-UHFFFAOYSA-N
MW225.31 g/mol
LogP3.39
Rot. Bonds8

About 5-fluoro-N-octylpyrimidin-2-amine

5-fluoro-N-octylpyrimidin-2-amine (PubChem CID 115765356) has the molecular formula C12H20FN3 and a molecular weight of 225.31 g/mol. Its IUPAC name is 5-fluoro-N-octylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-octylpyrimidin-2-amine
PubChem CID115765356
Molecular FormulaC12H20FN3
Molecular Weight225.31 g/mol
Exact Mass225.16
IUPAC Name5-fluoro-N-octylpyrimidin-2-amine
SMILESCCCCCCCCNc1ncc(F)cn1
InChIInChI=1S/C12H20FN3/c1-2-3-4-5-6-7-8-14-12-15-9-11(13)10-16-12/h9-10H,2-8H2,1H3,(H,14,15,16)
InChIKeyOTNIXPXKFSCOLR-UHFFFAOYSA-N
XLogP3.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-octylpyrimidin-2-amine
CID 115568974
5-chloro-N-hexylpyrimidin-2-amine
CID 79555195
5-fluoro-N-(4-methoxybutyl)pyrimidin-2-amine
CID 115749945
N-(5-fluoropyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 115749816
5-fluoro-N-(3-methylsulfonylpropyl)pyrimidin-2-amine
CID 115749979
5-fluoro-2-N-methyl-4-N-octylpyrimidine-2,4-diamine
CID 113336792
5-fluoro-N-octan-2-ylpyrimidin-2-amine
CID 115750005
N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine
CID 112703775
5-fluoro-N-(3-methylbutyl)pyrimidin-2-amine
CID 115749812
4-fluoro-N-heptylaniline
CID 43129312
N-dodecyl-6-methylsulfanyl-1,2,4,5-tetrazin-3-amine
CID 110192063
5-chloro-4-N-octyl-2-N-propylpyrimidine-2,4-diamine
CID 115565369

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-octylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-octylpyrimidin-2-amine (CID 115765356) is 5-fluoro-N-octylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-octylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-octylpyrimidin-2-amine is CCCCCCCCNc1ncc(F)cn1.
What is the InChIKey of 5-fluoro-N-octylpyrimidin-2-amine?
The InChIKey is OTNIXPXKFSCOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3/c1-2-3-4-5-6-7-8-14-12-15-9-11(13)10-16-12/h9-10H,2-8H2,1H3,(H,14,15,16).
What are the key properties of 5-fluoro-N-octylpyrimidin-2-amine?
5-fluoro-N-octylpyrimidin-2-amine has a molecular weight of 225.31 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-octylpyrimidin-2-amine is sourced from PubChem (CID 115765356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).