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

C14H19ClN6 — CID 80783650

IUPAC4-N-[1-(2-chlorophenyl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(NC(C)c2ccccc2Cl)nc(N(C)C)n1
InChIInChI=1S/C14H19ClN6/c1-9(10-7-5-6-8-11(10)15)17-13-18-12(16-2)19-14(20-13)21(3)4/h5-9H,1-4H3,(H2,16,17,18,19,20)
InChIKeyKHEBEAIWMGCPPH-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.81
Rot. Bonds5

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

4-N-[1-(2-chlorophenyl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80783650) has the molecular formula C14H19ClN6 and a molecular weight of 306.80 g/mol. Its IUPAC name is 4-N-[1-(2-chlorophenyl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[1-(2-chlorophenyl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80783650
Molecular FormulaC14H19ClN6
Molecular Weight306.80 g/mol
Exact Mass306.14
IUPAC Name4-N-[1-(2-chlorophenyl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(NC(C)c2ccccc2Cl)nc(N(C)C)n1
InChIInChI=1S/C14H19ClN6/c1-9(10-7-5-6-8-11(10)15)17-13-18-12(16-2)19-14(20-13)21(3)4/h5-9H,1-4H3,(H2,16,17,18,19,20)
InChIKeyKHEBEAIWMGCPPH-UHFFFAOYSA-N
XLogP2.81
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-N-[1-(2-chlorophenyl)ethyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80784410
6-chloro-4-N-[1-(2,4-dichlorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62869021
N-[1-(2-chlorophenyl)ethyl]-1,2,4-benzotriazin-3-amine
CID 103204195
2-N-[1-(2-chlorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine
CID 80802030
4-chloro-N-[1-(2-chlorophenyl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62863071
(1S)-1-(2-chlorophenyl)-N-methylethanamine
CID 30073865
N-[(1R)-1-(2-chlorophenyl)ethyl]pyridin-4-amine
CID 141011393
2-N,2-N,6-N-trimethyl-4-N-(2,4,5-trichlorophenyl)-1,3,5-triazine-2,4,6-triamine
CID 80748181
6-chloro-N-[1-(2-chlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 55080193
2-N,2-N,4-N-trimethyl-6-(2-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine
CID 80886555
4-N-[1-(4-chlorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80802339
4-chloro-N-[1-(2-chlorophenyl)ethyl]phthalazin-1-amine
CID 62142132

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(2-chlorophenyl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-[1-(2-chlorophenyl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine (CID 80783650) is 4-N-[1-(2-chlorophenyl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-[1-(2-chlorophenyl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-[1-(2-chlorophenyl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine is CNc1nc(NC(C)c2ccccc2Cl)nc(N(C)C)n1.
What is the InChIKey of 4-N-[1-(2-chlorophenyl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is KHEBEAIWMGCPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN6/c1-9(10-7-5-6-8-11(10)15)17-13-18-12(16-2)19-14(20-13)21(3)4/h5-9H,1-4H3,(H2,16,17,18,19,20).
What are the key properties of 4-N-[1-(2-chlorophenyl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
4-N-[1-(2-chlorophenyl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 306.80 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(2-chlorophenyl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80783650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).