6-(4-chlorophenoxy)-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine

C14H18ClN5O — CID 80866060

IUPAC6-(4-chlorophenoxy)-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(NC)nc(Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H18ClN5O/c1-4-20(5-2)13-17-12(16-3)18-14(19-13)21-11-8-6-10(15)7-9-11/h6-9H,4-5H2,1-3H3,(H,16,17,18,19)
InChIKeyPAXSZHUYCCTXRY-UHFFFAOYSA-N
MW307.79 g/mol
LogP3.21
Rot. Bonds6

About 6-(4-chlorophenoxy)-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine

6-(4-chlorophenoxy)-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 80866060) has the molecular formula C14H18ClN5O and a molecular weight of 307.79 g/mol. Its IUPAC name is 6-(4-chlorophenoxy)-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(4-chlorophenoxy)-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID80866060
Molecular FormulaC14H18ClN5O
Molecular Weight307.79 g/mol
Exact Mass307.12
IUPAC Name6-(4-chlorophenoxy)-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(NC)nc(Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H18ClN5O/c1-4-20(5-2)13-17-12(16-3)18-14(19-13)21-11-8-6-10(15)7-9-11/h6-9H,4-5H2,1-3H3,(H,16,17,18,19)
InChIKeyPAXSZHUYCCTXRY-UHFFFAOYSA-N
XLogP3.21
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(4-chlorophenoxy)-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N,2-N-diethyl-6-(4-fluorophenoxy)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80866080
2-N,2-N-diethyl-4-N-methyl-6-[(2-methylpropan-2-yl)oxy]-1,3,5-triazine-2,4-diamine
CID 80862256
4-chloro-6-(4-ethoxyphenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80862587
6-(3,5-dichlorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80874464
2-N,2-N-diethyl-6-(4-fluorophenoxy)-1,3,5-triazine-2,4-diamine
CID 80869066
3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]propan-1-ol
CID 80867459
2-N,2-N-diethyl-6-(4-iodophenoxy)-1,3,5-triazine-2,4-diamine
CID 80880955
4-chloro-N-methyl-6-(4-propoxyphenoxy)-1,3,5-triazin-2-amine
CID 80882083
6-[2-(dimethylamino)-2-methylpropoxy]-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80871928
4-methoxy-N-methyl-6-(4-propylphenoxy)-1,3,5-triazin-2-amine
CID 80878901
2-[ethyl-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide
CID 80809168
6-(2,5-dichlorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80862387

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenoxy)-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(4-chlorophenoxy)-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 80866060) is 6-(4-chlorophenoxy)-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(4-chlorophenoxy)-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(4-chlorophenoxy)-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(NC)nc(Oc2ccc(Cl)cc2)n1.
What is the InChIKey of 6-(4-chlorophenoxy)-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is PAXSZHUYCCTXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O/c1-4-20(5-2)13-17-12(16-3)18-14(19-13)21-11-8-6-10(15)7-9-11/h6-9H,4-5H2,1-3H3,(H,16,17,18,19).
What are the key properties of 6-(4-chlorophenoxy)-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine?
6-(4-chlorophenoxy)-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 307.79 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenoxy)-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80866060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).