4-chloro-N-(2,3-dimethylphenyl)-6-methoxy-1,3,5-triazin-2-amine

C12H13ClN4O — CID 55124546

IUPAC4-chloro-N-(2,3-dimethylphenyl)-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(Nc2cccc(C)c2C)n1
InChIInChI=1S/C12H13ClN4O/c1-7-5-4-6-9(8(7)2)14-11-15-10(13)16-12(17-11)18-3/h4-6H,1-3H3,(H,14,15,16,17)
InChIKeyKJGPYLKFKYQLCP-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.89
Rot. Bonds3

About 4-chloro-N-(2,3-dimethylphenyl)-6-methoxy-1,3,5-triazin-2-amine

4-chloro-N-(2,3-dimethylphenyl)-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 55124546) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 4-chloro-N-(2,3-dimethylphenyl)-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2,3-dimethylphenyl)-6-methoxy-1,3,5-triazin-2-amine
PubChem CID55124546
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name4-chloro-N-(2,3-dimethylphenyl)-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(Nc2cccc(C)c2C)n1
InChIInChI=1S/C12H13ClN4O/c1-7-5-4-6-9(8(7)2)14-11-15-10(13)16-12(17-11)18-3/h4-6H,1-3H3,(H,14,15,16,17)
InChIKeyKJGPYLKFKYQLCP-UHFFFAOYSA-N
XLogP2.89
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Stk064997
CID 778562
4,6-dimethoxy-N-phenyl-1,3,5-triazin-2-amine
CID 35020
4,6-Dichloro-N-(4-(1-methylethyl)phenyl)-1,3,5-triazin-2-amine
CID 3121122
4,6-Dichloro-N-1-naphthalenyl-1,3,5-triazin-2-amine
CID 35300
N2,N2-dimethyl-N4-(2-propylphenyl)-1,3,5-triazine-2,4,6-triamine hydrochloride
CID 71584599
6-(chloromethyl)-N-(2,3-dimethylphenyl)-1,3,5-triazine-2,4-diamine
CID 936997
N-(3,4-dimethylphenyl)-1,3,5-triazine-2,4-diamine
CID 757465
N-o-Tolyl-[1,3,5]triazine-2,4-diamine
CID 704942
4,6-dimethoxy-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 329167
(4,6-Dimethoxy-[1,3,5]triazin-2-yl)-(4-isopropyl-phenyl)-amine
CID 692799
6-Chloro-N-isopropyl-N'-m-tolyl-[1,3,5]triazine-2,4-diamine
CID 768158
(4-Dimethylamino-6-m-tolylamino-[1,3,5]triazin-2-yloxy)-acetonitrile
CID 1895646

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,3-dimethylphenyl)-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(2,3-dimethylphenyl)-6-methoxy-1,3,5-triazin-2-amine (CID 55124546) is 4-chloro-N-(2,3-dimethylphenyl)-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(2,3-dimethylphenyl)-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(2,3-dimethylphenyl)-6-methoxy-1,3,5-triazin-2-amine is COc1nc(Cl)nc(Nc2cccc(C)c2C)n1.
What is the InChIKey of 4-chloro-N-(2,3-dimethylphenyl)-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is KJGPYLKFKYQLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-7-5-4-6-9(8(7)2)14-11-15-10(13)16-12(17-11)18-3/h4-6H,1-3H3,(H,14,15,16,17).
What are the key properties of 4-chloro-N-(2,3-dimethylphenyl)-6-methoxy-1,3,5-triazin-2-amine?
4-chloro-N-(2,3-dimethylphenyl)-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 264.72 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,3-dimethylphenyl)-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 55124546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).