4-N-(isoquinolin-1-ylmethyl)-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine

C18H22N6 — CID 133434375

IUPAC4-N-(isoquinolin-1-ylmethyl)-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)c1nc(NCc2nccc3ccccc23)nc(N(C)C)n1
InChIInChI=1S/C18H22N6/c1-12(2)16-21-17(23-18(22-16)24(3)4)20-11-15-14-8-6-5-7-13(14)9-10-19-15/h5-10,12H,11H2,1-4H3,(H,20,21,22,23)
InChIKeyZKNCOZXOWQQLJC-UHFFFAOYSA-N
MW322.42 g/mol
LogP3.22
Rot. Bonds5

About 4-N-(isoquinolin-1-ylmethyl)-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine

4-N-(isoquinolin-1-ylmethyl)-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 133434375) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is 4-N-(isoquinolin-1-ylmethyl)-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(isoquinolin-1-ylmethyl)-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID133434375
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC Name4-N-(isoquinolin-1-ylmethyl)-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)c1nc(NCc2nccc3ccccc23)nc(N(C)C)n1
InChIInChI=1S/C18H22N6/c1-12(2)16-21-17(23-18(22-16)24(3)4)20-11-15-14-8-6-5-7-13(14)9-10-19-15/h5-10,12H,11H2,1-4H3,(H,20,21,22,23)
InChIKeyZKNCOZXOWQQLJC-UHFFFAOYSA-N
XLogP3.22
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N-(isoquinolin-1-ylmethyl)-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-N,2-N-dimethyl-6-propan-2-yl-4-N-[(3-pyridin-2-ylphenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 133421851
2-N,2-N-dimethyl-4-N-[(3-methyl-4-pyridinyl)methyl]-6-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 133495534
4-N-[[2-(difluoromethoxy)phenyl]methyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 133433154
2-N,2-N-dimethyl-4-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-6-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 133431796
N,N-bis(isoquinolin-1-ylmethyl)propan-2-amine
CID 59404292
2-N,2-N-dimethyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 64829086
3-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]benzenesulfonamide
CID 133418608
3-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]-N-methylbenzamide
CID 133418388
2-N,2-N-dimethyl-4-N-(2-morpholin-4-yl-2-phenylethyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 133433575
4-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 133418508
4-N-[1-(1-benzofuran-2-yl)ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 133431839
ethane;isoquinolin-1-ylmethanamine
CID 145267324

Frequently Asked Questions

What is the IUPAC name of 4-N-(isoquinolin-1-ylmethyl)-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-(isoquinolin-1-ylmethyl)-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 133434375) is 4-N-(isoquinolin-1-ylmethyl)-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-(isoquinolin-1-ylmethyl)-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-(isoquinolin-1-ylmethyl)-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine is CC(C)c1nc(NCc2nccc3ccccc23)nc(N(C)C)n1.
What is the InChIKey of 4-N-(isoquinolin-1-ylmethyl)-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is ZKNCOZXOWQQLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6/c1-12(2)16-21-17(23-18(22-16)24(3)4)20-11-15-14-8-6-5-7-13(14)9-10-19-15/h5-10,12H,11H2,1-4H3,(H,20,21,22,23).
What are the key properties of 4-N-(isoquinolin-1-ylmethyl)-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
4-N-(isoquinolin-1-ylmethyl)-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 322.42 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(isoquinolin-1-ylmethyl)-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 133434375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).