2-N,2-N-dimethyl-6-propan-2-yl-4-N-[(3-pyridin-2-ylphenyl)methyl]-1,3,5-triazine-2,4-diamine

C20H24N6 — CID 133421851

IUPAC2-N,2-N-dimethyl-6-propan-2-yl-4-N-[(3-pyridin-2-ylphenyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)c1nc(NCc2cccc(-c3ccccn3)c2)nc(N(C)C)n1
InChIInChI=1S/C20H24N6/c1-14(2)18-23-19(25-20(24-18)26(3)4)22-13-15-8-7-9-16(12-15)17-10-5-6-11-21-17/h5-12,14H,13H2,1-4H3,(H,22,23,24,25)
InChIKeyDTSLUQGNWCVLGE-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.74
Rot. Bonds6

About 2-N,2-N-dimethyl-6-propan-2-yl-4-N-[(3-pyridin-2-ylphenyl)methyl]-1,3,5-triazine-2,4-diamine

2-N,2-N-dimethyl-6-propan-2-yl-4-N-[(3-pyridin-2-ylphenyl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 133421851) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-propan-2-yl-4-N-[(3-pyridin-2-ylphenyl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-propan-2-yl-4-N-[(3-pyridin-2-ylphenyl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID133421851
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name2-N,2-N-dimethyl-6-propan-2-yl-4-N-[(3-pyridin-2-ylphenyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)c1nc(NCc2cccc(-c3ccccn3)c2)nc(N(C)C)n1
InChIInChI=1S/C20H24N6/c1-14(2)18-23-19(25-20(24-18)26(3)4)22-13-15-8-7-9-16(12-15)17-10-5-6-11-21-17/h5-12,14H,13H2,1-4H3,(H,22,23,24,25)
InChIKeyDTSLUQGNWCVLGE-UHFFFAOYSA-N
XLogP3.74
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N,2-N-dimethyl-6-propan-2-yl-4-N-[(3-pyridin-2-ylphenyl)methyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

3-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]-N-methylbenzamide
CID 133418388
3-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]benzenesulfonamide
CID 133418608
2-methyl-N-[(3-pyridin-2-ylphenyl)methyl]propan-1-amine
CID 122602486
1-naphthalen-1-yl-N-[(3-pyridin-2-ylphenyl)methyl]ethanamine
CID 22391282
N,N-dimethyl-1-(3-pyridin-2-ylphenyl)methanamine
CID 91152039
2-phenyl-N-[(3-pyridin-2-ylphenyl)methyl]aniline
CID 140871795
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-(3-pyridin-2-ylphenyl)ethanamine
CID 39226476
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
6-chloro-2-N,2-N-dimethyl-4-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 55125138
2-[3-(3-propan-2-ylphenyl)phenyl]pyridine
CID 161030255

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-6-propan-2-yl-4-N-[(3-pyridin-2-ylphenyl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 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) is 2-N,2-N-dimethyl-6-propan-2-yl-4-N-[(3-pyridin-2-ylphenyl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-propan-2-yl-4-N-[(3-pyridin-2-ylphenyl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-propan-2-yl-4-N-[(3-pyridin-2-ylphenyl)methyl]-1,3,5-triazine-2,4-diamine is CC(C)c1nc(NCc2cccc(-c3ccccn3)c2)nc(N(C)C)n1.
What is the InChIKey of 2-N,2-N-dimethyl-6-propan-2-yl-4-N-[(3-pyridin-2-ylphenyl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is DTSLUQGNWCVLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/c1-14(2)18-23-19(25-20(24-18)26(3)4)22-13-15-8-7-9-16(12-15)17-10-5-6-11-21-17/h5-12,14H,13H2,1-4H3,(H,22,23,24,25).
What are the key properties of 2-N,2-N-dimethyl-6-propan-2-yl-4-N-[(3-pyridin-2-ylphenyl)methyl]-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-propan-2-yl-4-N-[(3-pyridin-2-ylphenyl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 348.45 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-6-propan-2-yl-4-N-[(3-pyridin-2-ylphenyl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 133421851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).