6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C15H26N6 — CID 47015454

IUPAC6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(CN2CCC3CCCCC3C2)n1
InChIInChI=1S/C15H26N6/c1-20(2)15-18-13(17-14(16)19-15)10-21-8-7-11-5-3-4-6-12(11)9-21/h11-12H,3-10H2,1-2H3,(H2,16,17,18,19)
InChIKeyQPSFFFLMPZYHNV-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.53
Rot. Bonds3

About 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 47015454) has the molecular formula C15H26N6 and a molecular weight of 290.41 g/mol. Its IUPAC name is 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID47015454
Molecular FormulaC15H26N6
Molecular Weight290.41 g/mol
Exact Mass290.22
IUPAC Name6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(CN2CCC3CCCCC3C2)n1
InChIInChI=1S/C15H26N6/c1-20(2)15-18-13(17-14(16)19-15)10-21-8-7-11-5-3-4-6-12(11)9-21/h11-12H,3-10H2,1-2H3,(H2,16,17,18,19)
InChIKeyQPSFFFLMPZYHNV-UHFFFAOYSA-N
XLogP1.53
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine with MolForge

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

Launch Full Analysis

Related Compounds

4-(Cyclohexylmethyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155540438
4-(2-Cyclohexylethyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155539562
4-(3-Cyclohexylpropyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155543351
2-N,2-N-dimethyl-6-[(3-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 17449838
4-Cyclohexyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 63868493
6-{[(3r,5s)-3,5-Dimethylpiperidin-1-Yl]methyl}-N,N-Dimethyl-1,3,5-Triazine-2,4-Diamine
CID 26008530
6-[(3,5-Dimethylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 45352618
4-cyclohexyl-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 58865549
2-N,2-N-dimethyl-6-[(4-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 17453408
6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 17478904
6-[(4-Methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 17564506
2-N,2-N-dimethyl-6-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
CID 25957939

Frequently Asked Questions

What is the IUPAC name of 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 47015454) is 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(CN2CCC3CCCCC3C2)n1.
What is the InChIKey of 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is QPSFFFLMPZYHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6/c1-20(2)15-18-13(17-14(16)19-15)10-21-8-7-11-5-3-4-6-12(11)9-21/h11-12H,3-10H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 290.41 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 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-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 47015454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).