6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-cyclopropylpyrimidin-4-amine

C16H24N4 — CID 102729187

IUPAC6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-cyclopropylpyrimidin-4-amine
SMILESNc1cc(N2CCC[C@H]3CCCC[C@H]32)nc(C2CC2)n1
InChIInChI=1S/C16H24N4/c17-14-10-15(19-16(18-14)12-7-8-12)20-9-3-5-11-4-1-2-6-13(11)20/h10-13H,1-9H2,(H2,17,18,19)/t11-,13-/m1/s1
InChIKeyYOXPMIATUNDRDW-DGCLKSJQSA-N
MW272.40 g/mol
LogP3.10
Rot. Bonds2

About 6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-cyclopropylpyrimidin-4-amine

6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-cyclopropylpyrimidin-4-amine (PubChem CID 102729187) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-cyclopropylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-cyclopropylpyrimidin-4-amine
PubChem CID102729187
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-cyclopropylpyrimidin-4-amine
SMILESNc1cc(N2CCC[C@H]3CCCC[C@H]32)nc(C2CC2)n1
InChIInChI=1S/C16H24N4/c17-14-10-15(19-16(18-14)12-7-8-12)20-9-3-5-11-4-1-2-6-13(11)20/h10-13H,1-9H2,(H2,17,18,19)/t11-,13-/m1/s1
InChIKeyYOXPMIATUNDRDW-DGCLKSJQSA-N
XLogP3.10
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-cyclopropylpyrimidin-4-amine?
The IUPAC name of 6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-cyclopropylpyrimidin-4-amine (CID 102729187) is 6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-cyclopropylpyrimidin-4-amine.
What is the SMILES notation for 6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-cyclopropylpyrimidin-4-amine?
The canonical SMILES for 6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-cyclopropylpyrimidin-4-amine is Nc1cc(N2CCC[C@H]3CCCC[C@H]32)nc(C2CC2)n1.
What is the InChIKey of 6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-cyclopropylpyrimidin-4-amine?
The InChIKey is YOXPMIATUNDRDW-DGCLKSJQSA-N. The full InChI is InChI=1S/C16H24N4/c17-14-10-15(19-16(18-14)12-7-8-12)20-9-3-5-11-4-1-2-6-13(11)20/h10-13H,1-9H2,(H2,17,18,19)/t11-,13-/m1/s1.
What are the key properties of 6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-cyclopropylpyrimidin-4-amine?
6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-cyclopropylpyrimidin-4-amine has a molecular weight of 272.40 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-cyclopropylpyrimidin-4-amine is sourced from PubChem (CID 102729187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).