4,6-dichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,5-triazin-2-amine

C13H14Cl2N4O2 — CID 46179762

IUPAC4,6-dichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,5-triazin-2-amine
SMILESCOc1ccc(CCNc2nc(Cl)nc(Cl)n2)cc1OC
InChIInChI=1S/C13H14Cl2N4O2/c1-20-9-4-3-8(7-10(9)21-2)5-6-16-13-18-11(14)17-12(15)19-13/h3-4,7H,5-6H2,1-2H3,(H,16,17,18,19)
InChIKeyDFGJQHJENNFWEK-UHFFFAOYSA-N
MW329.19 g/mol
LogP2.85
Rot. Bonds6

About 4,6-dichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,5-triazin-2-amine

4,6-dichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,5-triazin-2-amine (PubChem CID 46179762) has the molecular formula C13H14Cl2N4O2 and a molecular weight of 329.19 g/mol. Its IUPAC name is 4,6-dichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,5-triazin-2-amine
PubChem CID46179762
Molecular FormulaC13H14Cl2N4O2
Molecular Weight329.19 g/mol
Exact Mass328.05
IUPAC Name4,6-dichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,5-triazin-2-amine
SMILESCOc1ccc(CCNc2nc(Cl)nc(Cl)n2)cc1OC
InChIInChI=1S/C13H14Cl2N4O2/c1-20-9-4-3-8(7-10(9)21-2)5-6-16-13-18-11(14)17-12(15)19-13/h3-4,7H,5-6H2,1-2H3,(H,16,17,18,19)
InChIKeyDFGJQHJENNFWEK-UHFFFAOYSA-N
XLogP2.85
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride
CID 2969423
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-amine
CID 22308410
6-N-[2-[[4,6-bis[(3,4-dimethoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]ethyl]-2-N,4-N-bis[(3,4-dimethoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 177395359
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrimidin-2-amine
CID 63208375
5-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-2-amine
CID 63874532
2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 115978129
4-N-(3-chlorophenyl)-2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112897013
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112922586
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-propylquinazoline-2,4-diamine
CID 91966287
3-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112938744
4-chloro-6-methoxy-N-[2-(3-methylphenyl)ethyl]-1,3,5-triazin-2-amine
CID 62857336
6-chloro-4-N-ethyl-2-N-[2-(3-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 107855546

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,5-triazin-2-amine (CID 46179762) is 4,6-dichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,5-triazin-2-amine is COc1ccc(CCNc2nc(Cl)nc(Cl)n2)cc1OC.
What is the InChIKey of 4,6-dichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,5-triazin-2-amine?
The InChIKey is DFGJQHJENNFWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4O2/c1-20-9-4-3-8(7-10(9)21-2)5-6-16-13-18-11(14)17-12(15)19-13/h3-4,7H,5-6H2,1-2H3,(H,16,17,18,19).
What are the key properties of 4,6-dichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,5-triazin-2-amine?
4,6-dichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,5-triazin-2-amine has a molecular weight of 329.19 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 46179762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).