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

C15H19ClN6O — CID 121238070

IUPAC4-[(4-chlorophenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCN1CCN(c2nc(N)nc(COc3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C15H19ClN6O/c1-21-6-8-22(9-7-21)15-19-13(18-14(17)20-15)10-23-12-4-2-11(16)3-5-12/h2-5H,6-10H2,1H3,(H2,17,18,19,20)
InChIKeySEBUYXSSASIDEU-UHFFFAOYSA-N
MW334.81 g/mol
LogP1.44
Rot. Bonds4

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

4-[(4-chlorophenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 121238070) has the molecular formula C15H19ClN6O and a molecular weight of 334.81 g/mol. Its IUPAC name is 4-[(4-chlorophenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(4-chlorophenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
PubChem CID121238070
Molecular FormulaC15H19ClN6O
Molecular Weight334.81 g/mol
Exact Mass334.13
IUPAC Name4-[(4-chlorophenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCN1CCN(c2nc(N)nc(COc3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C15H19ClN6O/c1-21-6-8-22(9-7-21)15-19-13(18-14(17)20-15)10-23-12-4-2-11(16)3-5-12/h2-5H,6-10H2,1H3,(H2,17,18,19,20)
InChIKeySEBUYXSSASIDEU-UHFFFAOYSA-N
XLogP1.44
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 51.44
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
2-(4-Chlorophenoxy)-4,6-di(morpholin-4-yl)-1,3,5-triazine
CID 1086561
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-[(3-Methylphenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155547693
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

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(4-chlorophenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (CID 121238070) is 4-[(4-chlorophenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(4-chlorophenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(4-chlorophenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is CN1CCN(c2nc(N)nc(COc3ccc(Cl)cc3)n2)CC1.
What is the InChIKey of 4-[(4-chlorophenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is SEBUYXSSASIDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN6O/c1-21-6-8-22(9-7-21)15-19-13(18-14(17)20-15)10-23-12-4-2-11(16)3-5-12/h2-5H,6-10H2,1H3,(H2,17,18,19,20).
What are the key properties of 4-[(4-chlorophenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
4-[(4-chlorophenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 334.81 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 121238070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).