4-[(2-chlorophenoxy)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine

C14H16ClN5O2 — CID 729421

IUPAC4-[(2-chlorophenoxy)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESNc1nc(COc2ccccc2Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C14H16ClN5O2/c15-10-3-1-2-4-11(10)22-9-12-17-13(16)19-14(18-12)20-5-7-21-8-6-20/h1-4H,5-9H2,(H2,16,17,18,19)
InChIKeyOGCQWIKGWXPSQE-UHFFFAOYSA-N
MW321.77 g/mol
LogP1.52
Rot. Bonds4

About 4-[(2-chlorophenoxy)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine

4-[(2-chlorophenoxy)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 729421) has the molecular formula C14H16ClN5O2 and a molecular weight of 321.77 g/mol. Its IUPAC name is 4-[(2-chlorophenoxy)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(2-chlorophenoxy)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID729421
Molecular FormulaC14H16ClN5O2
Molecular Weight321.77 g/mol
Exact Mass321.10
IUPAC Name4-[(2-chlorophenoxy)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESNc1nc(COc2ccccc2Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C14H16ClN5O2/c15-10-3-1-2-4-11(10)22-9-12-17-13(16)19-14(18-12)20-5-7-21-8-6-20/h1-4H,5-9H2,(H2,16,17,18,19)
InChIKeyOGCQWIKGWXPSQE-UHFFFAOYSA-N
XLogP1.52
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[1-(2,5-Dichlorophenoxy)propyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 164618100
4-[(4-Fluorophenoxy)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 729426
4-[1-(2-Chlorophenoxy)ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155519102
4-(4-Methylpiperazin-1-yl)-6-(phenoxymethyl)-1,3,5-triazin-2-amine
CID 155531846
4-[(2,4-Dichlorophenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155536152
4-[(3-Chlorophenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155538814
4-[1-(3-Chlorophenoxy)ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155543653
4-[(4-Chloro-3-methylphenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155544139
4-[(2-Chlorophenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155554036
4-[(4-Chloro-2-methylphenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155558408
4-[1-(2,5-Dichlorophenoxy)ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 164608896
4-[1-(2,3-Dichlorophenoxy)ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 164610188

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenoxy)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(2-chlorophenoxy)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 729421) is 4-[(2-chlorophenoxy)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(2-chlorophenoxy)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(2-chlorophenoxy)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is Nc1nc(COc2ccccc2Cl)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[(2-chlorophenoxy)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is OGCQWIKGWXPSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O2/c15-10-3-1-2-4-11(10)22-9-12-17-13(16)19-14(18-12)20-5-7-21-8-6-20/h1-4H,5-9H2,(H2,16,17,18,19).
What are the key properties of 4-[(2-chlorophenoxy)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-[(2-chlorophenoxy)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 321.77 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenoxy)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 729421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).