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

C19H25N7O — CID 5340327

IUPACN-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCOc1ccc(/C=N/Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1
InChIInChI=1S/C19H25N7O/c1-27-16-8-6-15(7-9-16)14-20-24-17-21-18(25-10-2-3-11-25)23-19(22-17)26-12-4-5-13-26/h6-9,14H,2-5,10-13H2,1H3,(H,21,22,23,24)/b20-14+
InChIKeyCQMZGBFWDHVKIP-XSFVSMFZSA-N
MW367.46 g/mol
LogP2.53
Rot. Bonds6

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

N-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 5340327) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is N-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID5340327
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC NameN-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCOc1ccc(/C=N/Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1
InChIInChI=1S/C19H25N7O/c1-27-16-8-6-15(7-9-16)14-20-24-17-21-18(25-10-2-3-11-25)23-19(22-17)26-12-4-5-13-26/h6-9,14H,2-5,10-13H2,1H3,(H,21,22,23,24)/b20-14+
InChIKeyCQMZGBFWDHVKIP-XSFVSMFZSA-N
XLogP2.53
TPSA78.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 5340327) is N-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine is COc1ccc(/C=N/Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1.
What is the InChIKey of N-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is CQMZGBFWDHVKIP-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H25N7O/c1-27-16-8-6-15(7-9-16)14-20-24-17-21-18(25-10-2-3-11-25)23-19(22-17)26-12-4-5-13-26/h6-9,14H,2-5,10-13H2,1H3,(H,21,22,23,24)/b20-14+.
What are the key properties of N-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine?
N-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 367.46 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 5340327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).