5-fluoro-N-hexan-3-ylpyrimidin-2-amine

C10H16FN3 — CID 115750039

IUPAC5-fluoro-N-hexan-3-ylpyrimidin-2-amine
SMILESCCCC(CC)Nc1ncc(F)cn1
InChIInChI=1S/C10H16FN3/c1-3-5-9(4-2)14-10-12-6-8(11)7-13-10/h6-7,9H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyXTIBVBWSUNSIBR-UHFFFAOYSA-N
MW197.26 g/mol
LogP2.61
Rot. Bonds5

About 5-fluoro-N-hexan-3-ylpyrimidin-2-amine

5-fluoro-N-hexan-3-ylpyrimidin-2-amine (PubChem CID 115750039) has the molecular formula C10H16FN3 and a molecular weight of 197.26 g/mol. Its IUPAC name is 5-fluoro-N-hexan-3-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-hexan-3-ylpyrimidin-2-amine
PubChem CID115750039
Molecular FormulaC10H16FN3
Molecular Weight197.26 g/mol
Exact Mass197.13
IUPAC Name5-fluoro-N-hexan-3-ylpyrimidin-2-amine
SMILESCCCC(CC)Nc1ncc(F)cn1
InChIInChI=1S/C10H16FN3/c1-3-5-9(4-2)14-10-12-6-8(11)7-13-10/h6-7,9H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyXTIBVBWSUNSIBR-UHFFFAOYSA-N
XLogP2.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-hexan-3-ylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-hexan-3-ylpyrimidin-2-amine (CID 115750039) is 5-fluoro-N-hexan-3-ylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-hexan-3-ylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-hexan-3-ylpyrimidin-2-amine is CCCC(CC)Nc1ncc(F)cn1.
What is the InChIKey of 5-fluoro-N-hexan-3-ylpyrimidin-2-amine?
The InChIKey is XTIBVBWSUNSIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3/c1-3-5-9(4-2)14-10-12-6-8(11)7-13-10/h6-7,9H,3-5H2,1-2H3,(H,12,13,14).
What are the key properties of 5-fluoro-N-hexan-3-ylpyrimidin-2-amine?
5-fluoro-N-hexan-3-ylpyrimidin-2-amine has a molecular weight of 197.26 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-hexan-3-ylpyrimidin-2-amine is sourced from PubChem (CID 115750039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).