7-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methoxy]-4-propylchromen-2-one

C23H23N5O4 — CID 38916991

IUPAC7-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methoxy]-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2cc(OCc3nc(N)nc(Nc4ccccc4OC)n3)ccc12
InChIInChI=1S/C23H23N5O4/c1-3-6-14-11-21(29)32-19-12-15(9-10-16(14)19)31-13-20-26-22(24)28-23(27-20)25-17-7-4-5-8-18(17)30-2/h4-5,7-12H,3,6,13H2,1-2H3,(H3,24,25,26,27,28)
InChIKeyFXMYXSNEWMEIHP-UHFFFAOYSA-N
MW433.47 g/mol
LogP3.84
Rot. Bonds8

About 7-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methoxy]-4-propylchromen-2-one

7-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methoxy]-4-propylchromen-2-one (PubChem CID 38916991) has the molecular formula C23H23N5O4 and a molecular weight of 433.47 g/mol. Its IUPAC name is 7-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methoxy]-4-propylchromen-2-one.

Molecular Properties

Compound Name7-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methoxy]-4-propylchromen-2-one
PubChem CID38916991
Molecular FormulaC23H23N5O4
Molecular Weight433.47 g/mol
Exact Mass433.18
IUPAC Name7-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methoxy]-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2cc(OCc3nc(N)nc(Nc4ccccc4OC)n3)ccc12
InChIInChI=1S/C23H23N5O4/c1-3-6-14-11-21(29)32-19-12-15(9-10-16(14)19)31-13-20-26-22(24)28-23(27-20)25-17-7-4-5-8-18(17)30-2/h4-5,7-12H,3,6,13H2,1-2H3,(H3,24,25,26,27,28)
InChIKeyFXMYXSNEWMEIHP-UHFFFAOYSA-N
XLogP3.84
TPSA125.39 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methoxy]-4-propylchromen-2-one?
The IUPAC name of 7-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methoxy]-4-propylchromen-2-one (CID 38916991) is 7-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methoxy]-4-propylchromen-2-one.
What is the SMILES notation for 7-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methoxy]-4-propylchromen-2-one?
The canonical SMILES for 7-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methoxy]-4-propylchromen-2-one is CCCc1cc(=O)oc2cc(OCc3nc(N)nc(Nc4ccccc4OC)n3)ccc12.
What is the InChIKey of 7-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methoxy]-4-propylchromen-2-one?
The InChIKey is FXMYXSNEWMEIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4/c1-3-6-14-11-21(29)32-19-12-15(9-10-16(14)19)31-13-20-26-22(24)28-23(27-20)25-17-7-4-5-8-18(17)30-2/h4-5,7-12H,3,6,13H2,1-2H3,(H3,24,25,26,27,28).
What are the key properties of 7-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methoxy]-4-propylchromen-2-one?
7-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methoxy]-4-propylchromen-2-one has a molecular weight of 433.47 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methoxy]-4-propylchromen-2-one is sourced from PubChem (CID 38916991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).