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

C14H17ClN4O — CID 103434427

IUPAC4-chloro-6-(2-methoxy-3,4-dimethylphenyl)-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCOc1c(-c2nc(Cl)nc(N(C)C)n2)ccc(C)c1C
InChIInChI=1S/C14H17ClN4O/c1-8-6-7-10(11(20-5)9(8)2)12-16-13(15)18-14(17-12)19(3)4/h6-7H,1-5H3
InChIKeyTUUUVEVCUVSKEA-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.88
Rot. Bonds3

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

4-chloro-6-(2-methoxy-3,4-dimethylphenyl)-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 103434427) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-chloro-6-(2-methoxy-3,4-dimethylphenyl)-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2-methoxy-3,4-dimethylphenyl)-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID103434427
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name4-chloro-6-(2-methoxy-3,4-dimethylphenyl)-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCOc1c(-c2nc(Cl)nc(N(C)C)n2)ccc(C)c1C
InChIInChI=1S/C14H17ClN4O/c1-8-6-7-10(11(20-5)9(8)2)12-16-13(15)18-14(17-12)19(3)4/h6-7H,1-5H3
InChIKeyTUUUVEVCUVSKEA-UHFFFAOYSA-N
XLogP2.88
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-(2-methoxy-3,4-dimethylphenyl)-6-propan-2-yloxy-1,3,5-triazine
CID 103434463
4-chloro-5-methoxy-6-(2-methoxy-3,4-dimethylphenyl)pyrimidine
CID 103434429
4-chloro-6-(3-methoxy-2-pyridinyl)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 114054128
4-chloro-N,N-dimethyl-6-quinolin-5-yl-1,3,5-triazin-2-amine
CID 81221970
2,4-dichloro-6-(4-methylnaphthalen-1-yl)-1,3,5-triazine
CID 71361703
4-chloro-N,N-dimethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine
CID 62869628
4-chloro-N,N-dimethyl-6-(2,3,5-trimethylphenoxy)-1,3,5-triazin-2-amine
CID 62869809
4-chloro-6-(2,4-dimethylphenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 62868271
2-bromo-6-(2-methoxy-3,4-dimethylphenyl)pyridine
CID 103434425
2-cyclopropyl-6-(2-methoxy-3,4-dimethylphenyl)-5-methylpyrimidin-4-amine
CID 103434518
4-chloro-5,6-dimethyl-2-(2,3,4-trimethoxyphenyl)pyrimidine
CID 60996661
2-chloro-4-(2-methoxy-3,4-dimethylphenyl)aniline
CID 107607763

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-methoxy-3,4-dimethylphenyl)-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(2-methoxy-3,4-dimethylphenyl)-N,N-dimethyl-1,3,5-triazin-2-amine (CID 103434427) is 4-chloro-6-(2-methoxy-3,4-dimethylphenyl)-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(2-methoxy-3,4-dimethylphenyl)-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(2-methoxy-3,4-dimethylphenyl)-N,N-dimethyl-1,3,5-triazin-2-amine is COc1c(-c2nc(Cl)nc(N(C)C)n2)ccc(C)c1C.
What is the InChIKey of 4-chloro-6-(2-methoxy-3,4-dimethylphenyl)-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is TUUUVEVCUVSKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-8-6-7-10(11(20-5)9(8)2)12-16-13(15)18-14(17-12)19(3)4/h6-7H,1-5H3.
What are the key properties of 4-chloro-6-(2-methoxy-3,4-dimethylphenyl)-N,N-dimethyl-1,3,5-triazin-2-amine?
4-chloro-6-(2-methoxy-3,4-dimethylphenyl)-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 292.77 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-methoxy-3,4-dimethylphenyl)-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 103434427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).