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

C20H23ClN6 — CID 69020180

IUPAC4-N-[2-(3-chlorophenyl)ethyl]-2-N-[(1S)-1-phenylpropyl]-1,3,5-triazine-2,4,6-triamine
SMILESCC[C@H](Nc1nc(N)nc(NCCc2cccc(Cl)c2)n1)c1ccccc1
InChIInChI=1S/C20H23ClN6/c1-2-17(15-8-4-3-5-9-15)24-20-26-18(22)25-19(27-20)23-12-11-14-7-6-10-16(21)13-14/h3-10,13,17H,2,11-12H2,1H3,(H4,22,23,24,25,26,27)/t17-/m0/s1
InChIKeyHCYFOWVTVKFVBU-KRWDZBQOSA-N
MW382.90 g/mol
LogP4.32
Rot. Bonds8

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

4-N-[2-(3-chlorophenyl)ethyl]-2-N-[(1S)-1-phenylpropyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 69020180) has the molecular formula C20H23ClN6 and a molecular weight of 382.90 g/mol. Its IUPAC name is 4-N-[2-(3-chlorophenyl)ethyl]-2-N-[(1S)-1-phenylpropyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[2-(3-chlorophenyl)ethyl]-2-N-[(1S)-1-phenylpropyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID69020180
Molecular FormulaC20H23ClN6
Molecular Weight382.90 g/mol
Exact Mass382.17
IUPAC Name4-N-[2-(3-chlorophenyl)ethyl]-2-N-[(1S)-1-phenylpropyl]-1,3,5-triazine-2,4,6-triamine
SMILESCC[C@H](Nc1nc(N)nc(NCCc2cccc(Cl)c2)n1)c1ccccc1
InChIInChI=1S/C20H23ClN6/c1-2-17(15-8-4-3-5-9-15)24-20-26-18(22)25-19(27-20)23-12-11-14-7-6-10-16(21)13-14/h3-10,13,17H,2,11-12H2,1H3,(H4,22,23,24,25,26,27)/t17-/m0/s1
InChIKeyHCYFOWVTVKFVBU-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-(3-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-(4-chlorophenyl)ethyl]-2-N-[(1S)-1-phenylpropyl]-1,3,5-triazine-2,4,6-triamine
CID 69021028
N-[2-(3-chlorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine
CID 78845412
N-(3-chlorophenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine
CID 54806636
2-N-[2-(3-chlorophenyl)ethyl]-6-methyl-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112926269
6-ethoxy-2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 80778104
6-chloro-2-N-[1-(3-chlorophenyl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80784415
3-N-[2-(3-chlorophenyl)ethyl]-5-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112952828
2-N-[2-(3-chlorophenyl)ethyl]-4-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917787
1-(3-chlorophenyl)-N-[(1R)-1-phenylpropyl]methanesulfonamide
CID 92685740
2-N-tert-butyl-4-N-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112924756
(2S)-2-amino-N-[2-(3-chlorophenyl)ethyl]butanamide
CID 79022783
2-N-[2-(3-chlorophenyl)ethyl]-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917241

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(3-chlorophenyl)ethyl]-2-N-[(1S)-1-phenylpropyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-[2-(3-chlorophenyl)ethyl]-2-N-[(1S)-1-phenylpropyl]-1,3,5-triazine-2,4,6-triamine (CID 69020180) is 4-N-[2-(3-chlorophenyl)ethyl]-2-N-[(1S)-1-phenylpropyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-[2-(3-chlorophenyl)ethyl]-2-N-[(1S)-1-phenylpropyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-[2-(3-chlorophenyl)ethyl]-2-N-[(1S)-1-phenylpropyl]-1,3,5-triazine-2,4,6-triamine is CC[C@H](Nc1nc(N)nc(NCCc2cccc(Cl)c2)n1)c1ccccc1.
What is the InChIKey of 4-N-[2-(3-chlorophenyl)ethyl]-2-N-[(1S)-1-phenylpropyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is HCYFOWVTVKFVBU-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23ClN6/c1-2-17(15-8-4-3-5-9-15)24-20-26-18(22)25-19(27-20)23-12-11-14-7-6-10-16(21)13-14/h3-10,13,17H,2,11-12H2,1H3,(H4,22,23,24,25,26,27)/t17-/m0/s1.
What are the key properties of 4-N-[2-(3-chlorophenyl)ethyl]-2-N-[(1S)-1-phenylpropyl]-1,3,5-triazine-2,4,6-triamine?
4-N-[2-(3-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-(3-chlorophenyl)ethyl]-2-N-[(1S)-1-phenylpropyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 69020180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).