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

C20H23ClN6 — CID 69021028

IUPAC4-N-[2-(4-chlorophenyl)ethyl]-2-N-[(1S)-1-phenylpropyl]-1,3,5-triazine-2,4,6-triamine
SMILESCC[C@H](Nc1nc(N)nc(NCCc2ccc(Cl)cc2)n1)c1ccccc1
InChIInChI=1S/C20H23ClN6/c1-2-17(15-6-4-3-5-7-15)24-20-26-18(22)25-19(27-20)23-13-12-14-8-10-16(21)11-9-14/h3-11,17H,2,12-13H2,1H3,(H4,22,23,24,25,26,27)/t17-/m0/s1
InChIKeyQSTVHTVWSWEHQE-KRWDZBQOSA-N
MW382.90 g/mol
LogP4.32
Rot. Bonds8

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

4-N-[2-(4-chlorophenyl)ethyl]-2-N-[(1S)-1-phenylpropyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 69021028) has the molecular formula C20H23ClN6 and a molecular weight of 382.90 g/mol. Its IUPAC name is 4-N-[2-(4-chlorophenyl)ethyl]-2-N-[(1S)-1-phenylpropyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[2-(4-chlorophenyl)ethyl]-2-N-[(1S)-1-phenylpropyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID69021028
Molecular FormulaC20H23ClN6
Molecular Weight382.90 g/mol
Exact Mass382.17
IUPAC Name4-N-[2-(4-chlorophenyl)ethyl]-2-N-[(1S)-1-phenylpropyl]-1,3,5-triazine-2,4,6-triamine
SMILESCC[C@H](Nc1nc(N)nc(NCCc2ccc(Cl)cc2)n1)c1ccccc1
InChIInChI=1S/C20H23ClN6/c1-2-17(15-6-4-3-5-7-15)24-20-26-18(22)25-19(27-20)23-13-12-14-8-10-16(21)11-9-14/h3-11,17H,2,12-13H2,1H3,(H4,22,23,24,25,26,27)/t17-/m0/s1
InChIKeyQSTVHTVWSWEHQE-KRWDZBQOSA-N
XLogP4.32
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.90
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-N-[2-(3-chlorophenyl)ethyl]-2-N-[(1S)-1-phenylpropyl]-1,3,5-triazine-2,4,6-triamine
CID 69020180
1-[2-(4-chlorophenyl)ethyl]-3-(1-phenylpropyl)thiourea
CID 5000601
6-ethoxy-2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 80778104
4-(4-chlorophenyl)-1-phenyl-N-propylbutan-1-amine
CID 64502036
2-N-[1-(4-chlorophenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 21348659
2-N-[2-(4-chlorophenyl)ethyl]-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 112922674
6-bromo-2-N-[2-(4-chlorophenyl)ethyl]pyrimidine-2,4-diamine
CID 116795747
4-N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80776690
3-N-(1-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine
CID 66276469
4-N-[2-(4-methylphenyl)ethyl]-2-N-[(1S)-1-(4-nitrophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 69021654
3-N-[2-(4-chlorophenyl)ethyl]-5-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112952800
5-chloro-2-fluoro-N-(1-phenylpropyl)aniline
CID 43381923

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-chlorophenyl)ethyl]-2-N-[(1S)-1-phenylpropyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-[2-(4-chlorophenyl)ethyl]-2-N-[(1S)-1-phenylpropyl]-1,3,5-triazine-2,4,6-triamine (CID 69021028) is 4-N-[2-(4-chlorophenyl)ethyl]-2-N-[(1S)-1-phenylpropyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-[2-(4-chlorophenyl)ethyl]-2-N-[(1S)-1-phenylpropyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-[2-(4-chlorophenyl)ethyl]-2-N-[(1S)-1-phenylpropyl]-1,3,5-triazine-2,4,6-triamine is CC[C@H](Nc1nc(N)nc(NCCc2ccc(Cl)cc2)n1)c1ccccc1.
What is the InChIKey of 4-N-[2-(4-chlorophenyl)ethyl]-2-N-[(1S)-1-phenylpropyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is QSTVHTVWSWEHQE-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23ClN6/c1-2-17(15-6-4-3-5-7-15)24-20-26-18(22)25-19(27-20)23-13-12-14-8-10-16(21)11-9-14/h3-11,17H,2,12-13H2,1H3,(H4,22,23,24,25,26,27)/t17-/m0/s1.
What are the key properties of 4-N-[2-(4-chlorophenyl)ethyl]-2-N-[(1S)-1-phenylpropyl]-1,3,5-triazine-2,4,6-triamine?
4-N-[2-(4-chlorophenyl)ethyl]-2-N-[(1S)-1-phenylpropyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 382.90 g/mol, XLogP of 4.32, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-chlorophenyl)ethyl]-2-N-[(1S)-1-phenylpropyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 69021028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).