4-(5-chloro-1-benzofuran-2-yl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine

C14H13ClN4O2 — CID 114734774

IUPAC4-(5-chloro-1-benzofuran-2-yl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC)nc(-c2cc3cc(Cl)ccc3o2)n1
InChIInChI=1S/C14H13ClN4O2/c1-3-16-13-17-12(18-14(19-13)20-2)11-7-8-6-9(15)4-5-10(8)21-11/h4-7H,3H2,1-2H3,(H,16,17,18,19)
InChIKeyZAMPSYFNJAKDBU-UHFFFAOYSA-N
MW304.74 g/mol
LogP3.38
Rot. Bonds4

About 4-(5-chloro-1-benzofuran-2-yl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine

4-(5-chloro-1-benzofuran-2-yl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 114734774) has the molecular formula C14H13ClN4O2 and a molecular weight of 304.74 g/mol. Its IUPAC name is 4-(5-chloro-1-benzofuran-2-yl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(5-chloro-1-benzofuran-2-yl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
PubChem CID114734774
Molecular FormulaC14H13ClN4O2
Molecular Weight304.74 g/mol
Exact Mass304.07
IUPAC Name4-(5-chloro-1-benzofuran-2-yl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC)nc(-c2cc3cc(Cl)ccc3o2)n1
InChIInChI=1S/C14H13ClN4O2/c1-3-16-13-17-12(18-14(19-13)20-2)11-7-8-6-9(15)4-5-10(8)21-11/h4-7H,3H2,1-2H3,(H,16,17,18,19)
InChIKeyZAMPSYFNJAKDBU-UHFFFAOYSA-N
XLogP3.38
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.74
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(5-chloro-1-benzofuran-2-yl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine with MolForge

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Related Compounds

2-N-(2,4-dichlorophenyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80760181
2,4-dichloro-6-(5-chloro-1-benzofuran-2-yl)-1,3,5-triazine
CID 114734218
4-(3-chloro-4-methylphenyl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 115504311
6-(5-chloro-1-benzofuran-2-yl)-N,2-diethylpyrimidin-4-amine
CID 114734715
4-[(4-chlorophenyl)methylsulfanyl]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 46734070
4-(3-chloro-4-fluorophenyl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 115504576
1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine
CID 114731265
2-N-(2-chloro-4-fluorophenyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80756168
N-ethyl-4-(2-fluoro-3-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 82812218
1-[4-(5-chloro-1-benzofuran-2-yl)phenyl]propan-1-one
CID 114732079
2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]pyrimidine-4,6-diamine
CID 80885688
2-chloro-4-ethoxy-6-(5-fluoro-1-benzofuran-2-yl)-1,3,5-triazine
CID 114734259

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1-benzofuran-2-yl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(5-chloro-1-benzofuran-2-yl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine (CID 114734774) is 4-(5-chloro-1-benzofuran-2-yl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(5-chloro-1-benzofuran-2-yl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(5-chloro-1-benzofuran-2-yl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine is CCNc1nc(OC)nc(-c2cc3cc(Cl)ccc3o2)n1.
What is the InChIKey of 4-(5-chloro-1-benzofuran-2-yl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is ZAMPSYFNJAKDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O2/c1-3-16-13-17-12(18-14(19-13)20-2)11-7-8-6-9(15)4-5-10(8)21-11/h4-7H,3H2,1-2H3,(H,16,17,18,19).
What are the key properties of 4-(5-chloro-1-benzofuran-2-yl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine?
4-(5-chloro-1-benzofuran-2-yl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 304.74 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-1-benzofuran-2-yl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 114734774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).