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

C13H20N4 — CID 116796481

IUPAC2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyrimidin-4-amine
SMILESNc1ccnc(N2CCCC3CCCCC32)n1
InChIInChI=1S/C13H20N4/c14-12-7-8-15-13(16-12)17-9-3-5-10-4-1-2-6-11(10)17/h7-8,10-11H,1-6,9H2,(H2,14,15,16)
InChIKeyMFUIQXHOQAPDTO-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.22
Rot. Bonds1

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

2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyrimidin-4-amine (PubChem CID 116796481) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyrimidin-4-amine
PubChem CID116796481
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyrimidin-4-amine
SMILESNc1ccnc(N2CCCC3CCCCC32)n1
InChIInChI=1S/C13H20N4/c14-12-7-8-15-13(16-12)17-9-3-5-10-4-1-2-6-11(10)17/h7-8,10-11H,1-6,9H2,(H2,14,15,16)
InChIKeyMFUIQXHOQAPDTO-UHFFFAOYSA-N
XLogP2.22
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyrimidin-4-amine (CID 116796481) is 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyrimidin-4-amine is Nc1ccnc(N2CCCC3CCCCC32)n1.
What is the InChIKey of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyrimidin-4-amine?
The InChIKey is MFUIQXHOQAPDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c14-12-7-8-15-13(16-12)17-9-3-5-10-4-1-2-6-11(10)17/h7-8,10-11H,1-6,9H2,(H2,14,15,16).
What are the key properties of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyrimidin-4-amine?
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyrimidin-4-amine has a molecular weight of 232.33 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 116796481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).