5-fluoro-N-octan-2-ylpyrimidin-2-amine

C12H20FN3 — CID 115750005

IUPAC5-fluoro-N-octan-2-ylpyrimidin-2-amine
SMILESCCCCCCC(C)Nc1ncc(F)cn1
InChIInChI=1S/C12H20FN3/c1-3-4-5-6-7-10(2)16-12-14-8-11(13)9-15-12/h8-10H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyJCZARXPSVWAOOE-UHFFFAOYSA-N
MW225.31 g/mol
LogP3.39
Rot. Bonds7

About 5-fluoro-N-octan-2-ylpyrimidin-2-amine

5-fluoro-N-octan-2-ylpyrimidin-2-amine (PubChem CID 115750005) has the molecular formula C12H20FN3 and a molecular weight of 225.31 g/mol. Its IUPAC name is 5-fluoro-N-octan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-octan-2-ylpyrimidin-2-amine
PubChem CID115750005
Molecular FormulaC12H20FN3
Molecular Weight225.31 g/mol
Exact Mass225.16
IUPAC Name5-fluoro-N-octan-2-ylpyrimidin-2-amine
SMILESCCCCCCC(C)Nc1ncc(F)cn1
InChIInChI=1S/C12H20FN3/c1-3-4-5-6-7-10(2)16-12-14-8-11(13)9-15-12/h8-10H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyJCZARXPSVWAOOE-UHFFFAOYSA-N
XLogP3.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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-nitro-N-octan-2-ylpyrimidin-2-amine
CID 54958890
5-fluoro-N-[(2S)-1-fluoropropan-2-yl]pyrimidin-2-amine
CID 130713087
(2S)-2-[(5-fluoropyrimidin-2-yl)amino]propan-1-ol
CID 130680062
5-fluoro-N-octylpyrimidin-2-amine
CID 115765356
5-fluoro-N-(1-methylsulfonylpropan-2-yl)pyrimidin-2-amine
CID 115750151
5-fluoro-N-hexan-3-ylpyrimidin-2-amine
CID 115750039
1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine
CID 98160565
5-iodo-N-pentan-2-ylpyrimidin-2-amine
CID 104840001
2,3,5,6-tetrafluoro-N-nonan-2-ylaniline
CID 107643577
2,6-difluoro-N-octan-2-ylaniline
CID 11356906
4-N-heptan-2-yl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80803176
2,5-difluoro-N-nonan-2-ylaniline
CID 43129763

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-octan-2-ylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-octan-2-ylpyrimidin-2-amine (CID 115750005) is 5-fluoro-N-octan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-octan-2-ylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-octan-2-ylpyrimidin-2-amine is CCCCCCC(C)Nc1ncc(F)cn1.
What is the InChIKey of 5-fluoro-N-octan-2-ylpyrimidin-2-amine?
The InChIKey is JCZARXPSVWAOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3/c1-3-4-5-6-7-10(2)16-12-14-8-11(13)9-15-12/h8-10H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 5-fluoro-N-octan-2-ylpyrimidin-2-amine?
5-fluoro-N-octan-2-ylpyrimidin-2-amine has a molecular weight of 225.31 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-octan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 115750005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).