4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-6-methoxy-1,3,5-triazin-2-amine

C14H17Cl2N5O2 — CID 118587850

IUPAC4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(-c2cc(OCCN(C)C)c(Cl)cc2Cl)n1
InChIInChI=1S/C14H17Cl2N5O2/c1-21(2)4-5-23-11-6-8(9(15)7-10(11)16)12-18-13(17)20-14(19-12)22-3/h6-7H,4-5H2,1-3H3,(H2,17,18,19,20)
InChIKeyZINUHEUOYPZRLJ-UHFFFAOYSA-N
MW358.23 g/mol
LogP2.38
Rot. Bonds6

About 4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-6-methoxy-1,3,5-triazin-2-amine

4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 118587850) has the molecular formula C14H17Cl2N5O2 and a molecular weight of 358.23 g/mol. Its IUPAC name is 4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-6-methoxy-1,3,5-triazin-2-amine
PubChem CID118587850
Molecular FormulaC14H17Cl2N5O2
Molecular Weight358.23 g/mol
Exact Mass357.08
IUPAC Name4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(-c2cc(OCCN(C)C)c(Cl)cc2Cl)n1
InChIInChI=1S/C14H17Cl2N5O2/c1-21(2)4-5-23-11-6-8(9(15)7-10(11)16)12-18-13(17)20-14(19-12)22-3/h6-7H,4-5H2,1-3H3,(H2,17,18,19,20)
InChIKeyZINUHEUOYPZRLJ-UHFFFAOYSA-N
XLogP2.38
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-N-ethyl-5,6-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
CID 70889040
4-[2,4-dichloro-5-[2-[ethyl(methyl)amino]ethoxy]phenyl]-6-(2H-tetrazol-5-yl)thieno[2,3-d]pyrimidin-2-amine;ethane
CID 143167660
4-[2-(dimethylamino)ethoxy]-6-methoxypyrimidine-2,5-diamine
CID 118167317
3-chloro-5-[2-(dimethylamino)ethoxy]-4-methylaniline
CID 166159167
4-(5-chloro-4-ethoxy-2-methylphenyl)-6-methyl-1,3,5-triazin-2-amine
CID 98022071
2-amino-4-[2,4-dichloro-5-[2-(diethylamino)ethoxy]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 70841492
2-(3-chloro-2,5-dimethylphenoxy)-N,N-dimethylethanamine
CID 164836094
4-(3-bromo-2,4-dimethoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 103524033
6-methoxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 793255
4-chloro-6-(2,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 83241667
2-chloro-6-[2-(dimethylamino)ethoxy]pyridin-4-amine
CID 71302501
4-[2,4-dichloro-5-(3,3,3-trifluoropropoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 69166010

Frequently Asked Questions

What is the IUPAC name of 4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-6-methoxy-1,3,5-triazin-2-amine (CID 118587850) is 4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-6-methoxy-1,3,5-triazin-2-amine is COc1nc(N)nc(-c2cc(OCCN(C)C)c(Cl)cc2Cl)n1.
What is the InChIKey of 4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is ZINUHEUOYPZRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N5O2/c1-21(2)4-5-23-11-6-8(9(15)7-10(11)16)12-18-13(17)20-14(19-12)22-3/h6-7H,4-5H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-6-methoxy-1,3,5-triazin-2-amine?
4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 358.23 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 118587850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).