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

C16H26N4 — CID 102729117

IUPAC6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N,2,5-trimethylpyrimidin-4-amine
SMILESCNc1nc(C)nc(N2CCC[C@H]3CCCC[C@H]32)c1C
InChIInChI=1S/C16H26N4/c1-11-15(17-3)18-12(2)19-16(11)20-10-6-8-13-7-4-5-9-14(13)20/h13-14H,4-10H2,1-3H3,(H,17,18,19)/t13-,14-/m1/s1
InChIKeyBHJUVBUIIWFSME-ZIAGYGMSSA-N
MW274.41 g/mol
LogP3.29
Rot. Bonds2

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

6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N,2,5-trimethylpyrimidin-4-amine (PubChem CID 102729117) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N,2,5-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N,2,5-trimethylpyrimidin-4-amine
PubChem CID102729117
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N,2,5-trimethylpyrimidin-4-amine
SMILESCNc1nc(C)nc(N2CCC[C@H]3CCCC[C@H]32)c1C
InChIInChI=1S/C16H26N4/c1-11-15(17-3)18-12(2)19-16(11)20-10-6-8-13-7-4-5-9-14(13)20/h13-14H,4-10H2,1-3H3,(H,17,18,19)/t13-,14-/m1/s1
InChIKeyBHJUVBUIIWFSME-ZIAGYGMSSA-N
XLogP3.29
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N,2,5-trimethylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]-N,2,5-trimethylpyrimidin-4-amine?
The IUPAC name of 6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N,2,5-trimethylpyrimidin-4-amine (CID 102729117) is 6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N,2,5-trimethylpyrimidin-4-amine.
What is the SMILES notation for 6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N,2,5-trimethylpyrimidin-4-amine?
The canonical SMILES for 6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N,2,5-trimethylpyrimidin-4-amine is CNc1nc(C)nc(N2CCC[C@H]3CCCC[C@H]32)c1C.
What is the InChIKey of 6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N,2,5-trimethylpyrimidin-4-amine?
The InChIKey is BHJUVBUIIWFSME-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H26N4/c1-11-15(17-3)18-12(2)19-16(11)20-10-6-8-13-7-4-5-9-14(13)20/h13-14H,4-10H2,1-3H3,(H,17,18,19)/t13-,14-/m1/s1.
What are the key properties of 6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N,2,5-trimethylpyrimidin-4-amine?
6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N,2,5-trimethylpyrimidin-4-amine has a molecular weight of 274.41 g/mol, XLogP of 3.29, 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]-N,2,5-trimethylpyrimidin-4-amine is sourced from PubChem (CID 102729117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).