N-(6-ethyl-5-fluoropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

C14H21FN4 — CID 103879872

IUPACN-(6-ethyl-5-fluoropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESCCc1ncnc(NC2CCN3CCCCC23)c1F
InChIInChI=1S/C14H21FN4/c1-2-10-13(15)14(17-9-16-10)18-11-6-8-19-7-4-3-5-12(11)19/h9,11-12H,2-8H2,1H3,(H,16,17,18)
InChIKeySLGZFILGKZCCTI-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.22
Rot. Bonds3

About N-(6-ethyl-5-fluoropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

N-(6-ethyl-5-fluoropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (PubChem CID 103879872) has the molecular formula C14H21FN4 and a molecular weight of 264.35 g/mol. Its IUPAC name is N-(6-ethyl-5-fluoropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.

Molecular Properties

Compound NameN-(6-ethyl-5-fluoropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
PubChem CID103879872
Molecular FormulaC14H21FN4
Molecular Weight264.35 g/mol
Exact Mass264.18
IUPAC NameN-(6-ethyl-5-fluoropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESCCc1ncnc(NC2CCN3CCCCC23)c1F
InChIInChI=1S/C14H21FN4/c1-2-10-13(15)14(17-9-16-10)18-11-6-8-19-7-4-3-5-12(11)19/h9,11-12H,2-8H2,1H3,(H,16,17,18)
InChIKeySLGZFILGKZCCTI-UHFFFAOYSA-N
XLogP2.22
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-5-fluoropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The IUPAC name of N-(6-ethyl-5-fluoropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (CID 103879872) is N-(6-ethyl-5-fluoropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.
What is the SMILES notation for N-(6-ethyl-5-fluoropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The canonical SMILES for N-(6-ethyl-5-fluoropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is CCc1ncnc(NC2CCN3CCCCC23)c1F.
What is the InChIKey of N-(6-ethyl-5-fluoropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The InChIKey is SLGZFILGKZCCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4/c1-2-10-13(15)14(17-9-16-10)18-11-6-8-19-7-4-3-5-12(11)19/h9,11-12H,2-8H2,1H3,(H,16,17,18).
What are the key properties of N-(6-ethyl-5-fluoropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
N-(6-ethyl-5-fluoropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine has a molecular weight of 264.35 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-5-fluoropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is sourced from PubChem (CID 103879872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).