4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-fluoropyrimidin-2-amine

C13H19FN4 — CID 80790059

IUPAC4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-fluoropyrimidin-2-amine
SMILESNc1ncc(F)c(N2CCCC3CCCCC32)n1
InChIInChI=1S/C13H19FN4/c14-10-8-16-13(15)17-12(10)18-7-3-5-9-4-1-2-6-11(9)18/h8-9,11H,1-7H2,(H2,15,16,17)
InChIKeyDLIKKLQYMLHWLD-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.36
Rot. Bonds1

About 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-fluoropyrimidin-2-amine

4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-fluoropyrimidin-2-amine (PubChem CID 80790059) has the molecular formula C13H19FN4 and a molecular weight of 250.32 g/mol. Its IUPAC name is 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-fluoropyrimidin-2-amine
PubChem CID80790059
Molecular FormulaC13H19FN4
Molecular Weight250.32 g/mol
Exact Mass250.16
IUPAC Name4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-fluoropyrimidin-2-amine
SMILESNc1ncc(F)c(N2CCCC3CCCCC32)n1
InChIInChI=1S/C13H19FN4/c14-10-8-16-13(15)17-12(10)18-7-3-5-9-4-1-2-6-11(9)18/h8-9,11H,1-7H2,(H2,15,16,17)
InChIKeyDLIKKLQYMLHWLD-UHFFFAOYSA-N
XLogP2.36
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-fluoropyrimidin-2-amine (CID 80790059) is 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-fluoropyrimidin-2-amine is Nc1ncc(F)c(N2CCCC3CCCCC32)n1.
What is the InChIKey of 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-fluoropyrimidin-2-amine?
The InChIKey is DLIKKLQYMLHWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4/c14-10-8-16-13(15)17-12(10)18-7-3-5-9-4-1-2-6-11(9)18/h8-9,11H,1-7H2,(H2,15,16,17).
What are the key properties of 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-fluoropyrimidin-2-amine?
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-fluoropyrimidin-2-amine has a molecular weight of 250.32 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 80790059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).