N-(4-chlorophenyl)-4,6-diethoxy-1,3,5-triazin-2-amine

C13H15ClN4O2 — CID 810981

IUPACN-(4-chlorophenyl)-4,6-diethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(Nc2ccc(Cl)cc2)nc(OCC)n1
InChIInChI=1S/C13H15ClN4O2/c1-3-19-12-16-11(17-13(18-12)20-4-2)15-10-7-5-9(14)6-8-10/h5-8H,3-4H2,1-2H3,(H,15,16,17,18)
InChIKeyJURAYIDYHBLKHA-UHFFFAOYSA-N
MW294.74 g/mol
LogP3.07
Rot. Bonds6

About N-(4-chlorophenyl)-4,6-diethoxy-1,3,5-triazin-2-amine

N-(4-chlorophenyl)-4,6-diethoxy-1,3,5-triazin-2-amine (PubChem CID 810981) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4,6-diethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4,6-diethoxy-1,3,5-triazin-2-amine
PubChem CID810981
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC NameN-(4-chlorophenyl)-4,6-diethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(Nc2ccc(Cl)cc2)nc(OCC)n1
InChIInChI=1S/C13H15ClN4O2/c1-3-19-12-16-11(17-13(18-12)20-4-2)15-10-7-5-9(14)6-8-10/h5-8H,3-4H2,1-2H3,(H,15,16,17,18)
InChIKeyJURAYIDYHBLKHA-UHFFFAOYSA-N
XLogP3.07
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Anilazine
CID 7541
Chlorazanil
CID 10374
4,6-dimethoxy-N-phenyl-1,3,5-triazin-2-amine
CID 35020
Chlorazanil Hydrochloride
CID 23616906
4,6-dichloro-N-(4-chlorophenyl)-1,3,5-triazin-2-amine
CID 16763
2-[[4-(4-Chloroanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 2055451
2-({4-[(4-Chlorophenyl)amino]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}amino)ethan-1-ol
CID 3141864
N-(3,4-Dichloro-phenyl)-N',N',N'',N''-tetramethyl-[1,3,5]triazine-2,4,6-triamine
CID 766777
(4,6-Dimethoxy-[1,3,5]triazin-2-yl)-(2-fluoro-phenyl)-amine
CID 784146
(4,6-Diethoxy-[1,3,5]triazin-2-yl)-(2-fluoro-phenyl)-amine
CID 1158964
[4-(4-Chloro-phenylamino)-6-diethylamino-[1,3,5]triazin-2-yloxy]-acetonitrile
CID 647226
1-[2-[[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-(4-chlorophenyl)urea
CID 2239351

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4,6-diethoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-(4-chlorophenyl)-4,6-diethoxy-1,3,5-triazin-2-amine (CID 810981) is N-(4-chlorophenyl)-4,6-diethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-4,6-diethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-4,6-diethoxy-1,3,5-triazin-2-amine is CCOc1nc(Nc2ccc(Cl)cc2)nc(OCC)n1.
What is the InChIKey of N-(4-chlorophenyl)-4,6-diethoxy-1,3,5-triazin-2-amine?
The InChIKey is JURAYIDYHBLKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c1-3-19-12-16-11(17-13(18-12)20-4-2)15-10-7-5-9(14)6-8-10/h5-8H,3-4H2,1-2H3,(H,15,16,17,18).
What are the key properties of N-(4-chlorophenyl)-4,6-diethoxy-1,3,5-triazin-2-amine?
N-(4-chlorophenyl)-4,6-diethoxy-1,3,5-triazin-2-amine has a molecular weight of 294.74 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4,6-diethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 810981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).