4-N-[(3,4-dichlorophenyl)methyl]-6-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine

C18H22Cl2N8 — CID 44533919

IUPAC4-N-[(3,4-dichlorophenyl)methyl]-6-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
SMILESCC(C)Nc1nc(NCCc2cnc[nH]2)nc(NCc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C18H22Cl2N8/c1-11(2)25-18-27-16(22-6-5-13-9-21-10-24-13)26-17(28-18)23-8-12-3-4-14(19)15(20)7-12/h3-4,7,9-11H,5-6,8H2,1-2H3,(H,21,24)(H3,22,23,25,26,27,28)
InChIKeyGLOJLTPNGYHMSK-UHFFFAOYSA-N
MW421.34 g/mol
LogP3.99
Rot. Bonds9

About 4-N-[(3,4-dichlorophenyl)methyl]-6-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine

4-N-[(3,4-dichlorophenyl)methyl]-6-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine (PubChem CID 44533919) has the molecular formula C18H22Cl2N8 and a molecular weight of 421.34 g/mol. Its IUPAC name is 4-N-[(3,4-dichlorophenyl)methyl]-6-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[(3,4-dichlorophenyl)methyl]-6-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
PubChem CID44533919
Molecular FormulaC18H22Cl2N8
Molecular Weight421.34 g/mol
Exact Mass420.13
IUPAC Name4-N-[(3,4-dichlorophenyl)methyl]-6-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
SMILESCC(C)Nc1nc(NCCc2cnc[nH]2)nc(NCc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C18H22Cl2N8/c1-11(2)25-18-27-16(22-6-5-13-9-21-10-24-13)26-17(28-18)23-8-12-3-4-14(19)15(20)7-12/h3-4,7,9-11H,5-6,8H2,1-2H3,(H,21,24)(H3,22,23,25,26,27,28)
InChIKeyGLOJLTPNGYHMSK-UHFFFAOYSA-N
XLogP3.99
TPSA103.44 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.34
LogP ≤ 53.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-N-[(3,4-dichlorophenyl)methyl]-6-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(3,4-dichlorophenyl)methyl]-6-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-[(3,4-dichlorophenyl)methyl]-6-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine (CID 44533919) is 4-N-[(3,4-dichlorophenyl)methyl]-6-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-[(3,4-dichlorophenyl)methyl]-6-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-[(3,4-dichlorophenyl)methyl]-6-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine is CC(C)Nc1nc(NCCc2cnc[nH]2)nc(NCc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 4-N-[(3,4-dichlorophenyl)methyl]-6-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is GLOJLTPNGYHMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N8/c1-11(2)25-18-27-16(22-6-5-13-9-21-10-24-13)26-17(28-18)23-8-12-3-4-14(19)15(20)7-12/h3-4,7,9-11H,5-6,8H2,1-2H3,(H,21,24)(H3,22,23,25,26,27,28).
What are the key properties of 4-N-[(3,4-dichlorophenyl)methyl]-6-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
4-N-[(3,4-dichlorophenyl)methyl]-6-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 421.34 g/mol, XLogP of 3.99, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3,4-dichlorophenyl)methyl]-6-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 44533919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).