2-[[2-(3-aminophenyl)phenyl]methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione

C22H19N3O4 — CID 89271872

IUPAC2-[[2-(3-aminophenyl)phenyl]methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OCc3ccccc3-c3cccc(N)c3)[nH]c(=O)c12
InChIInChI=1S/C22H19N3O4/c1-2-13-11-18(26)29-21-19(13)20(27)24-22(25-21)28-12-15-6-3-4-9-17(15)14-7-5-8-16(23)10-14/h3-11H,2,12,23H2,1H3,(H,24,25,27)
InChIKeyBDHQJNHANXEDNH-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.27
Rot. Bonds5

About 2-[[2-(3-aminophenyl)phenyl]methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione

2-[[2-(3-aminophenyl)phenyl]methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 89271872) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is 2-[[2-(3-aminophenyl)phenyl]methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name2-[[2-(3-aminophenyl)phenyl]methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID89271872
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Name2-[[2-(3-aminophenyl)phenyl]methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OCc3ccccc3-c3cccc(N)c3)[nH]c(=O)c12
InChIInChI=1S/C22H19N3O4/c1-2-13-11-18(26)29-21-19(13)20(27)24-22(25-21)28-12-15-6-3-4-9-17(15)14-7-5-8-16(23)10-14/h3-11H,2,12,23H2,1H3,(H,24,25,27)
InChIKeyBDHQJNHANXEDNH-UHFFFAOYSA-N
XLogP3.27
TPSA111.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-2-[1-[2-(4-fluorophenyl)phenyl]ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 58757456
5-ethyl-2-[[2-(4-fluorophenyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 59343550
2-(N-methylacetylamino)-5-methyl-4H-3,1-benzoxazin-4-one
CID 20208336
3-methyl-N-(5-methyl-4-oxo-3,1-benzoxazin-2-yl)butanamide
CID 20208568
2-(methoxymethyl)-N-(4-oxo-3,1-benzoxazin-2-yl)benzamide
CID 57069931
N-(4-oxo-3,1-benzoxazin-2-yl)-3-phenylbutanamide
CID 57094698
5-ethyl-2-[(1S)-2-methyl-1-(2-methylphenyl)propoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 58317064
5-ethyl-2-[(1R)-2-methyl-1-(2-methylphenyl)propoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 58317095
5-ethyl-2-[(1R)-1-(2-methylphenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 59304571
5-ethyl-2-[1-(2-methylphenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 59304589
5-ethyl-2-[(4-phenylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 59304628
5-ethyl-2-[(2-methylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 59304675

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-aminophenyl)phenyl]methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 2-[[2-(3-aminophenyl)phenyl]methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 89271872) is 2-[[2-(3-aminophenyl)phenyl]methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 2-[[2-(3-aminophenyl)phenyl]methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 2-[[2-(3-aminophenyl)phenyl]methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CCc1cc(=O)oc2nc(OCc3ccccc3-c3cccc(N)c3)[nH]c(=O)c12.
What is the InChIKey of 2-[[2-(3-aminophenyl)phenyl]methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is BDHQJNHANXEDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-2-13-11-18(26)29-21-19(13)20(27)24-22(25-21)28-12-15-6-3-4-9-17(15)14-7-5-8-16(23)10-14/h3-11H,2,12,23H2,1H3,(H,24,25,27).
What are the key properties of 2-[[2-(3-aminophenyl)phenyl]methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
2-[[2-(3-aminophenyl)phenyl]methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 389.41 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-aminophenyl)phenyl]methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 89271872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).