4-N-[1-(4-chlorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine

C13H17ClN6 — CID 80802339

IUPAC4-N-[1-(4-chlorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCC(Nc1nc(N)nc(N(C)C)n1)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN6/c1-8(9-4-6-10(14)7-5-9)16-12-17-11(15)18-13(19-12)20(2)3/h4-8H,1-3H3,(H3,15,16,17,18,19)
InChIKeyHHANAKRNTFHIMT-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.35
Rot. Bonds4

About 4-N-[1-(4-chlorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine

4-N-[1-(4-chlorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80802339) has the molecular formula C13H17ClN6 and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-N-[1-(4-chlorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[1-(4-chlorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80802339
Molecular FormulaC13H17ClN6
Molecular Weight292.77 g/mol
Exact Mass292.12
IUPAC Name4-N-[1-(4-chlorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCC(Nc1nc(N)nc(N(C)C)n1)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN6/c1-8(9-4-6-10(14)7-5-9)16-12-17-11(15)18-13(19-12)20(2)3/h4-8H,1-3H3,(H3,15,16,17,18,19)
InChIKeyHHANAKRNTFHIMT-UHFFFAOYSA-N
XLogP2.35
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-[1-(4-chlorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

2-N-[1-(4-chlorophenyl)ethyl]-6-[(Z)-prop-1-enyl]-1,3,5-triazine-2,4-diamine
CID 67614131
4-N-[1-(4-fluorophenyl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80784400
6-chloro-4-N-[1-(2,4-dichlorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62869021
6-chloro-2-N,2-N-dimethyl-4-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 106214411
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol
CID 80849056
4-N-(2,6-dichlorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80847427
6-[(1S)-1-chloroethyl]-2-N-[(1S)-1-phenylethyl]-1,3,5-triazine-2,4-diamine
CID 59879811
4-N-[1-(4-chlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80802199
2-N,2-N-dimethyl-4-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 80807202
4-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43107320
4-N-[1-(2-chlorophenyl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80783650
6-chloro-2-N-(1-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80781008

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(4-chlorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-[1-(4-chlorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine (CID 80802339) is 4-N-[1-(4-chlorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-[1-(4-chlorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-[1-(4-chlorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine is CC(Nc1nc(N)nc(N(C)C)n1)c1ccc(Cl)cc1.
What is the InChIKey of 4-N-[1-(4-chlorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is HHANAKRNTFHIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN6/c1-8(9-4-6-10(14)7-5-9)16-12-17-11(15)18-13(19-12)20(2)3/h4-8H,1-3H3,(H3,15,16,17,18,19).
What are the key properties of 4-N-[1-(4-chlorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
4-N-[1-(4-chlorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 292.77 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(4-chlorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80802339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).