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

C15H24N4 — CID 80933210

IUPAC6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-ethylpyrimidin-4-amine
SMILESCCc1nc(N)cc(N2CCC3CCCCC3C2)n1
InChIInChI=1S/C15H24N4/c1-2-14-17-13(16)9-15(18-14)19-8-7-11-5-3-4-6-12(11)10-19/h9,11-12H,2-8,10H2,1H3,(H2,16,17,18)
InChIKeyYUYSYKPFJCVXII-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.64
Rot. Bonds2

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

6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-ethylpyrimidin-4-amine (PubChem CID 80933210) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-ethylpyrimidin-4-amine
PubChem CID80933210
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-ethylpyrimidin-4-amine
SMILESCCc1nc(N)cc(N2CCC3CCCCC3C2)n1
InChIInChI=1S/C15H24N4/c1-2-14-17-13(16)9-15(18-14)19-8-7-11-5-3-4-6-12(11)10-19/h9,11-12H,2-8,10H2,1H3,(H2,16,17,18)
InChIKeyYUYSYKPFJCVXII-UHFFFAOYSA-N
XLogP2.64
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-ethylpyrimidin-4-amine?
The IUPAC name of 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-ethylpyrimidin-4-amine (CID 80933210) is 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-ethylpyrimidin-4-amine?
The canonical SMILES for 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-ethylpyrimidin-4-amine is CCc1nc(N)cc(N2CCC3CCCCC3C2)n1.
What is the InChIKey of 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-ethylpyrimidin-4-amine?
The InChIKey is YUYSYKPFJCVXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-2-14-17-13(16)9-15(18-14)19-8-7-11-5-3-4-6-12(11)10-19/h9,11-12H,2-8,10H2,1H3,(H2,16,17,18).
What are the key properties of 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-ethylpyrimidin-4-amine?
6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-ethylpyrimidin-4-amine has a molecular weight of 260.38 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-ethylpyrimidin-4-amine is sourced from PubChem (CID 80933210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).