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

C14H17ClN4O3 — CID 1089220

IUPACN-(3-chloro-4-methoxyphenyl)-4,6-diethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(Nc2ccc(OC)c(Cl)c2)nc(OCC)n1
InChIInChI=1S/C14H17ClN4O3/c1-4-21-13-17-12(18-14(19-13)22-5-2)16-9-6-7-11(20-3)10(15)8-9/h6-8H,4-5H2,1-3H3,(H,16,17,18,19)
InChIKeyHUQUQRMXRCGVHV-UHFFFAOYSA-N
MW324.77 g/mol
LogP3.07
Rot. Bonds7

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

N-(3-chloro-4-methoxyphenyl)-4,6-diethoxy-1,3,5-triazin-2-amine (PubChem CID 1089220) has the molecular formula C14H17ClN4O3 and a molecular weight of 324.77 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4,6-diethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4,6-diethoxy-1,3,5-triazin-2-amine
PubChem CID1089220
Molecular FormulaC14H17ClN4O3
Molecular Weight324.77 g/mol
Exact Mass324.10
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4,6-diethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(Nc2ccc(OC)c(Cl)c2)nc(OCC)n1
InChIInChI=1S/C14H17ClN4O3/c1-4-21-13-17-12(18-14(19-13)22-5-2)16-9-6-7-11(20-3)10(15)8-9/h6-8H,4-5H2,1-3H3,(H,16,17,18,19)
InChIKeyHUQUQRMXRCGVHV-UHFFFAOYSA-N
XLogP3.07
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3-chloro-4-methoxyphenyl)-4,6-diethoxy-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4,6-diethoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4,6-diethoxy-1,3,5-triazin-2-amine (CID 1089220) is N-(3-chloro-4-methoxyphenyl)-4,6-diethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4,6-diethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4,6-diethoxy-1,3,5-triazin-2-amine is CCOc1nc(Nc2ccc(OC)c(Cl)c2)nc(OCC)n1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4,6-diethoxy-1,3,5-triazin-2-amine?
The InChIKey is HUQUQRMXRCGVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O3/c1-4-21-13-17-12(18-14(19-13)22-5-2)16-9-6-7-11(20-3)10(15)8-9/h6-8H,4-5H2,1-3H3,(H,16,17,18,19).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4,6-diethoxy-1,3,5-triazin-2-amine?
N-(3-chloro-4-methoxyphenyl)-4,6-diethoxy-1,3,5-triazin-2-amine has a molecular weight of 324.77 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4,6-diethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 1089220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).