2-N-(3,5-dichlorophenyl)-6-methoxy-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine

C13H15Cl2N5O — CID 766783

IUPAC2-N-(3,5-dichlorophenyl)-6-methoxy-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N(C)C)nc(N(C)c2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C13H15Cl2N5O/c1-19(2)11-16-12(18-13(17-11)21-4)20(3)10-6-8(14)5-9(15)7-10/h5-7H,1-4H3
InChIKeyQCRRIYAPLBLGSC-UHFFFAOYSA-N
MW328.20 g/mol
LogP3.02
Rot. Bonds4

About 2-N-(3,5-dichlorophenyl)-6-methoxy-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine

2-N-(3,5-dichlorophenyl)-6-methoxy-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 766783) has the molecular formula C13H15Cl2N5O and a molecular weight of 328.20 g/mol. Its IUPAC name is 2-N-(3,5-dichlorophenyl)-6-methoxy-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,5-dichlorophenyl)-6-methoxy-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
PubChem CID766783
Molecular FormulaC13H15Cl2N5O
Molecular Weight328.20 g/mol
Exact Mass327.07
IUPAC Name2-N-(3,5-dichlorophenyl)-6-methoxy-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N(C)C)nc(N(C)c2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C13H15Cl2N5O/c1-19(2)11-16-12(18-13(17-11)21-4)20(3)10-6-8(14)5-9(15)7-10/h5-7H,1-4H3
InChIKeyQCRRIYAPLBLGSC-UHFFFAOYSA-N
XLogP3.02
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3,5-dichlorophenyl)-6-methoxy-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3,5-dichlorophenyl)-6-methoxy-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine (CID 766783) is 2-N-(3,5-dichlorophenyl)-6-methoxy-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3,5-dichlorophenyl)-6-methoxy-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3,5-dichlorophenyl)-6-methoxy-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine is COc1nc(N(C)C)nc(N(C)c2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of 2-N-(3,5-dichlorophenyl)-6-methoxy-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is QCRRIYAPLBLGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N5O/c1-19(2)11-16-12(18-13(17-11)21-4)20(3)10-6-8(14)5-9(15)7-10/h5-7H,1-4H3.
What are the key properties of 2-N-(3,5-dichlorophenyl)-6-methoxy-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
2-N-(3,5-dichlorophenyl)-6-methoxy-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 328.20 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,5-dichlorophenyl)-6-methoxy-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 766783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).