N-[(4-chlorophenyl)methyl]-2-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]acetamide;hydrobromide

C14H20BrClN6O2 — CID 162665907

IUPACN-[(4-chlorophenyl)methyl]-2-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]acetamide;hydrobromide
SMILESBr.CC1(C)N=C(N)N=C(N)N1OCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN6O2.BrH/c1-14(2)20-12(16)19-13(17)21(14)23-8-11(22)18-7-9-3-5-10(15)6-4-9;/h3-6H,7-8H2,1-2H3,(H,18,22)(H4,16,17,19,20);1H
InChIKeyCDRPTLHWGWGKDL-UHFFFAOYSA-N
MW419.71 g/mol
LogP1.15
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]acetamide;hydrobromide

N-[(4-chlorophenyl)methyl]-2-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]acetamide;hydrobromide (PubChem CID 162665907) has the molecular formula C14H20BrClN6O2 and a molecular weight of 419.71 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]acetamide;hydrobromide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]acetamide;hydrobromide
PubChem CID162665907
Molecular FormulaC14H20BrClN6O2
Molecular Weight419.71 g/mol
Exact Mass418.05
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]acetamide;hydrobromide
SMILESBr.CC1(C)N=C(N)N=C(N)N1OCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN6O2.BrH/c1-14(2)20-12(16)19-13(17)21(14)23-8-11(22)18-7-9-3-5-10(15)6-4-9;/h3-6H,7-8H2,1-2H3,(H,18,22)(H4,16,17,19,20);1H
InChIKeyCDRPTLHWGWGKDL-UHFFFAOYSA-N
XLogP1.15
TPSA118.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.71
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]acetamide;hydrobromide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]acetamide;hydrobromide (CID 162665907) is N-[(4-chlorophenyl)methyl]-2-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]acetamide;hydrobromide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]acetamide;hydrobromide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]acetamide;hydrobromide is Br.CC1(C)N=C(N)N=C(N)N1OCC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]acetamide;hydrobromide?
The InChIKey is CDRPTLHWGWGKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN6O2.BrH/c1-14(2)20-12(16)19-13(17)21(14)23-8-11(22)18-7-9-3-5-10(15)6-4-9;/h3-6H,7-8H2,1-2H3,(H,18,22)(H4,16,17,19,20);1H.
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]acetamide;hydrobromide?
N-[(4-chlorophenyl)methyl]-2-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]acetamide;hydrobromide has a molecular weight of 419.71 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]acetamide;hydrobromide is sourced from PubChem (CID 162665907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).