N-[(2,4-dichloro-5-nitrophenyl)methylideneamino]-4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-amine

C15H15Cl2N7O4 — CID 3098944

IUPACN-[(2,4-dichloro-5-nitrophenyl)methylideneamino]-4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCOc1nc(NN=Cc2cc([N+](=O)[O-])c(Cl)cc2Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C15H15Cl2N7O4/c1-27-15-20-13(19-14(21-15)23-2-4-28-5-3-23)22-18-8-9-6-12(24(25)26)11(17)7-10(9)16/h6-8H,2-5H2,1H3,(H,19,20,21,22)
InChIKeyPOUNEPPICHCMLN-UHFFFAOYSA-N
MW428.24 g/mol
LogP2.38
Rot. Bonds6

About N-[(2,4-dichloro-5-nitrophenyl)methylideneamino]-4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-amine

N-[(2,4-dichloro-5-nitrophenyl)methylideneamino]-4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 3098944) has the molecular formula C15H15Cl2N7O4 and a molecular weight of 428.24 g/mol. Its IUPAC name is N-[(2,4-dichloro-5-nitrophenyl)methylideneamino]-4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[(2,4-dichloro-5-nitrophenyl)methylideneamino]-4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID3098944
Molecular FormulaC15H15Cl2N7O4
Molecular Weight428.24 g/mol
Exact Mass427.06
IUPAC NameN-[(2,4-dichloro-5-nitrophenyl)methylideneamino]-4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCOc1nc(NN=Cc2cc([N+](=O)[O-])c(Cl)cc2Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C15H15Cl2N7O4/c1-27-15-20-13(19-14(21-15)23-2-4-28-5-3-23)22-18-8-9-6-12(24(25)26)11(17)7-10(9)16/h6-8H,2-5H2,1H3,(H,19,20,21,22)
InChIKeyPOUNEPPICHCMLN-UHFFFAOYSA-N
XLogP2.38
TPSA127.90 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.24
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-4,6-dinitrophenol
CID 135936333
2-bromo-6-[(Z)-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-4-nitrophenol
CID 135906562
N-[(2-methoxy-3-nitrophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 3338224
4-[(E)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol
CID 135536617
4-methoxy-6-morpholin-4-yl-N-(naphthalen-1-ylmethylideneamino)-1,3,5-triazin-2-amine
CID 3099879
N-[(E)-(3,5-diiodo-2-methoxyphenyl)methylideneamino]-4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
CID 90484652
4-bromo-2-methoxy-6-[(Z)-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
CID 136914683
4-[[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
CID 3106803
2-methoxy-4-[(E)-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
CID 135479775
2-[(E)-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-6-nitrophenol
CID 135479235
2-[(E)-[[4-(4-chloroanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-6-nitrophenol
CID 135400340
2-[(E)-[[4-(2-bromo-5-chloro-4-methylanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4,6-dinitrophenol
CID 135683970

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichloro-5-nitrophenyl)methylideneamino]-4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-[(2,4-dichloro-5-nitrophenyl)methylideneamino]-4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 3098944) is N-[(2,4-dichloro-5-nitrophenyl)methylideneamino]-4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[(2,4-dichloro-5-nitrophenyl)methylideneamino]-4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[(2,4-dichloro-5-nitrophenyl)methylideneamino]-4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-amine is COc1nc(NN=Cc2cc([N+](=O)[O-])c(Cl)cc2Cl)nc(N2CCOCC2)n1.
What is the InChIKey of N-[(2,4-dichloro-5-nitrophenyl)methylideneamino]-4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is POUNEPPICHCMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N7O4/c1-27-15-20-13(19-14(21-15)23-2-4-28-5-3-23)22-18-8-9-6-12(24(25)26)11(17)7-10(9)16/h6-8H,2-5H2,1H3,(H,19,20,21,22).
What are the key properties of N-[(2,4-dichloro-5-nitrophenyl)methylideneamino]-4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-amine?
N-[(2,4-dichloro-5-nitrophenyl)methylideneamino]-4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 428.24 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichloro-5-nitrophenyl)methylideneamino]-4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 3098944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).