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

C12H13ClN4O — CID 62858313

IUPAC4-chloro-N-(3,4-dimethylphenyl)-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(Nc2ccc(C)c(C)c2)n1
InChIInChI=1S/C12H13ClN4O/c1-7-4-5-9(6-8(7)2)14-11-15-10(13)16-12(17-11)18-3/h4-6H,1-3H3,(H,14,15,16,17)
InChIKeyAZQKXERJPOYQHZ-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.89
Rot. Bonds3

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

4-chloro-N-(3,4-dimethylphenyl)-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 62858313) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 4-chloro-N-(3,4-dimethylphenyl)-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(3,4-dimethylphenyl)-6-methoxy-1,3,5-triazin-2-amine
PubChem CID62858313
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name4-chloro-N-(3,4-dimethylphenyl)-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(Nc2ccc(C)c(C)c2)n1
InChIInChI=1S/C12H13ClN4O/c1-7-4-5-9(6-8(7)2)14-11-15-10(13)16-12(17-11)18-3/h4-6H,1-3H3,(H,14,15,16,17)
InChIKeyAZQKXERJPOYQHZ-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
2-[4-Chloro-6-(4-isopropyl-phenylamino)-[1,3,5]triazin-2-ylamino]-ethanol
CID 3129759
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
6-chloro-N-cyclohexyl-N'-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 704774
N-p-Tolyl-[1,3,5]triazine-2,4-diamine
CID 704967
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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,4-dimethylphenyl)-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(3,4-dimethylphenyl)-6-methoxy-1,3,5-triazin-2-amine (CID 62858313) is 4-chloro-N-(3,4-dimethylphenyl)-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(3,4-dimethylphenyl)-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(3,4-dimethylphenyl)-6-methoxy-1,3,5-triazin-2-amine is COc1nc(Cl)nc(Nc2ccc(C)c(C)c2)n1.
What is the InChIKey of 4-chloro-N-(3,4-dimethylphenyl)-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is AZQKXERJPOYQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-7-4-5-9(6-8(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-(3,4-dimethylphenyl)-6-methoxy-1,3,5-triazin-2-amine?
4-chloro-N-(3,4-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-(3,4-dimethylphenyl)-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 62858313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).