N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine

C19H23Cl2N7O3 — CID 4023493

IUPACN-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESCOc1c(Cl)cc(Cl)cc1C=NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H23Cl2N7O3/c1-29-16-13(10-14(20)11-15(16)21)12-22-26-17-23-18(27-2-6-30-7-3-27)25-19(24-17)28-4-8-31-9-5-28/h10-12H,2-9H2,1H3,(H,23,24,25,26)
InChIKeyMIBQRMUHZNFFST-UHFFFAOYSA-N
MW468.35 g/mol
LogP2.31
Rot. Bonds6

About N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine

N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 4023493) has the molecular formula C19H23Cl2N7O3 and a molecular weight of 468.35 g/mol. Its IUPAC name is N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID4023493
Molecular FormulaC19H23Cl2N7O3
Molecular Weight468.35 g/mol
Exact Mass467.12
IUPAC NameN-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESCOc1c(Cl)cc(Cl)cc1C=NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H23Cl2N7O3/c1-29-16-13(10-14(20)11-15(16)21)12-22-26-17-23-18(27-2-6-30-7-3-27)25-19(24-17)28-4-8-31-9-5-28/h10-12H,2-9H2,1H3,(H,23,24,25,26)
InChIKeyMIBQRMUHZNFFST-UHFFFAOYSA-N
XLogP2.31
TPSA97.23 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (CID 4023493) is N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is COc1c(Cl)cc(Cl)cc1C=NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is MIBQRMUHZNFFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2N7O3/c1-29-16-13(10-14(20)11-15(16)21)12-22-26-17-23-18(27-2-6-30-7-3-27)25-19(24-17)28-4-8-31-9-5-28/h10-12H,2-9H2,1H3,(H,23,24,25,26).
What are the key properties of N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 468.35 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 4023493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).