N-benzyl-4,6-dichloro-N-propan-2-yl-1,3,5-triazin-2-amine

C13H14Cl2N4 — CID 55124467

IUPACN-benzyl-4,6-dichloro-N-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)N(Cc1ccccc1)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C13H14Cl2N4/c1-9(2)19(8-10-6-4-3-5-7-10)13-17-11(14)16-12(15)18-13/h3-7,9H,8H2,1-2H3
InChIKeyVDDFFCVGMDFRLP-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.59
Rot. Bonds4

About N-benzyl-4,6-dichloro-N-propan-2-yl-1,3,5-triazin-2-amine

N-benzyl-4,6-dichloro-N-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 55124467) has the molecular formula C13H14Cl2N4 and a molecular weight of 297.19 g/mol. Its IUPAC name is N-benzyl-4,6-dichloro-N-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-benzyl-4,6-dichloro-N-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID55124467
Molecular FormulaC13H14Cl2N4
Molecular Weight297.19 g/mol
Exact Mass296.06
IUPAC NameN-benzyl-4,6-dichloro-N-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)N(Cc1ccccc1)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C13H14Cl2N4/c1-9(2)19(8-10-6-4-3-5-7-10)13-17-11(14)16-12(15)18-13/h3-7,9H,8H2,1-2H3
InChIKeyVDDFFCVGMDFRLP-UHFFFAOYSA-N
XLogP3.59
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-chloro-N-propan-2-ylpyrimidin-4-amine
CID 55065278
2-N-benzyl-2-N-propan-2-ylpyrimidine-2,5-diamine
CID 61145774
2-N-benzyl-6-chloro-2-N-propan-2-ylpyridine-2,3-diamine
CID 115473540
2-N-benzyl-6-methyl-2-N,4-N-di(propan-2-yl)pyrimidine-2,4-diamine
CID 112907142
2-N-benzyl-4-N-(2-chlorophenyl)-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112900090
N-benzyl-4-hydrazinyl-6-methoxy-N-propan-2-yl-1,3,5-triazin-2-amine
CID 80910625
2-[benzyl(propan-2-yl)amino]-6-chloropyridine-3-carboxylic acid
CID 63376936
N-benzyl-6-(chloromethyl)-N-propan-2-ylpyridazin-3-amine
CID 61255095
2-[benzyl(propan-2-yl)amino]-N-(4-chlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109333030
2-N,4-N-dibenzyl-2-N-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112891002
2-N-benzyl-4-N-(2-phenylethyl)-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112893961
N-benzyl-6-(methylaminomethyl)-N-propan-2-ylpyridin-2-amine
CID 62284777

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4,6-dichloro-N-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-benzyl-4,6-dichloro-N-propan-2-yl-1,3,5-triazin-2-amine (CID 55124467) is N-benzyl-4,6-dichloro-N-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-benzyl-4,6-dichloro-N-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-benzyl-4,6-dichloro-N-propan-2-yl-1,3,5-triazin-2-amine is CC(C)N(Cc1ccccc1)c1nc(Cl)nc(Cl)n1.
What is the InChIKey of N-benzyl-4,6-dichloro-N-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is VDDFFCVGMDFRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4/c1-9(2)19(8-10-6-4-3-5-7-10)13-17-11(14)16-12(15)18-13/h3-7,9H,8H2,1-2H3.
What are the key properties of N-benzyl-4,6-dichloro-N-propan-2-yl-1,3,5-triazin-2-amine?
N-benzyl-4,6-dichloro-N-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 297.19 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4,6-dichloro-N-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 55124467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).