2-N-[(3-chlorophenyl)methyl]-2-N,4-N,4-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine

C14H19ClN6 — CID 80777695

IUPAC2-N-[(3-chlorophenyl)methyl]-2-N,4-N,4-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(N(C)C)nc(N(C)Cc2cccc(Cl)c2)n1
InChIInChI=1S/C14H19ClN6/c1-16-12-17-13(20(2)3)19-14(18-12)21(4)9-10-6-5-7-11(15)8-10/h5-8H,9H2,1-4H3,(H,16,17,18,19)
InChIKeyJLIPYEKELYNFKP-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.27
Rot. Bonds5

About 2-N-[(3-chlorophenyl)methyl]-2-N,4-N,4-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine

2-N-[(3-chlorophenyl)methyl]-2-N,4-N,4-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80777695) has the molecular formula C14H19ClN6 and a molecular weight of 306.80 g/mol. Its IUPAC name is 2-N-[(3-chlorophenyl)methyl]-2-N,4-N,4-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-[(3-chlorophenyl)methyl]-2-N,4-N,4-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80777695
Molecular FormulaC14H19ClN6
Molecular Weight306.80 g/mol
Exact Mass306.14
IUPAC Name2-N-[(3-chlorophenyl)methyl]-2-N,4-N,4-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(N(C)C)nc(N(C)Cc2cccc(Cl)c2)n1
InChIInChI=1S/C14H19ClN6/c1-16-12-17-13(20(2)3)19-14(18-12)21(4)9-10-6-5-7-11(15)8-10/h5-8H,9H2,1-4H3,(H,16,17,18,19)
InChIKeyJLIPYEKELYNFKP-UHFFFAOYSA-N
XLogP2.27
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N-[(3-chlorophenyl)methyl]-2-N,4-N,4-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

6-chloro-2-N-[(3-methoxyphenyl)methyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80794627
5-bromo-4-N-[(3-chlorophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794306
2-N-benzyl-6-hydrazinyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80917534
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methylaniline
CID 61413469
4-N-[(3-chlorophenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 28895019
6-N-[(3-chlorophenyl)methyl]-6-N-methylpyridine-2,6-diamine
CID 80646738
6-chloro-2-N,4-N,4-N-trimethyl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 55125410
4-N-[(3-chlorophenyl)methyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64829885
1-[6-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-pyridinyl]-N-methylmethanamine
CID 106906091
3-[(4-chloro-N-methylanilino)methyl]-N-methylaniline
CID 115212134
5-chloro-N-[(3-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine
CID 80898727
5-bromo-N-[(3-chlorophenyl)methyl]-N-methylpyridin-3-amine
CID 115656903

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-chlorophenyl)methyl]-2-N,4-N,4-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-[(3-chlorophenyl)methyl]-2-N,4-N,4-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine (CID 80777695) is 2-N-[(3-chlorophenyl)methyl]-2-N,4-N,4-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-[(3-chlorophenyl)methyl]-2-N,4-N,4-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-[(3-chlorophenyl)methyl]-2-N,4-N,4-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine is CNc1nc(N(C)C)nc(N(C)Cc2cccc(Cl)c2)n1.
What is the InChIKey of 2-N-[(3-chlorophenyl)methyl]-2-N,4-N,4-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is JLIPYEKELYNFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN6/c1-16-12-17-13(20(2)3)19-14(18-12)21(4)9-10-6-5-7-11(15)8-10/h5-8H,9H2,1-4H3,(H,16,17,18,19).
What are the key properties of 2-N-[(3-chlorophenyl)methyl]-2-N,4-N,4-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine?
2-N-[(3-chlorophenyl)methyl]-2-N,4-N,4-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 306.80 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-chlorophenyl)methyl]-2-N,4-N,4-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80777695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).