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

C22H18N2O4 — CID 59304628

IUPAC5-ethyl-2-[(4-phenylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OCc3ccc(-c4ccccc4)cc3)[nH]c(=O)c12
InChIInChI=1S/C22H18N2O4/c1-2-15-12-18(25)28-21-19(15)20(26)23-22(24-21)27-13-14-8-10-17(11-9-14)16-6-4-3-5-7-16/h3-12H,2,13H2,1H3,(H,23,24,26)
InChIKeyHODGERMNXXDOBZ-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.68
Rot. Bonds5

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

5-ethyl-2-[(4-phenylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 59304628) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is 5-ethyl-2-[(4-phenylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-ethyl-2-[(4-phenylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID59304628
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Name5-ethyl-2-[(4-phenylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OCc3ccc(-c4ccccc4)cc3)[nH]c(=O)c12
InChIInChI=1S/C22H18N2O4/c1-2-15-12-18(25)28-21-19(15)20(26)23-22(24-21)27-13-14-8-10-17(11-9-14)16-6-4-3-5-7-16/h3-12H,2,13H2,1H3,(H,23,24,26)
InChIKeyHODGERMNXXDOBZ-UHFFFAOYSA-N
XLogP3.68
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[(4-phenylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-ethyl-2-[(4-phenylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 59304628) is 5-ethyl-2-[(4-phenylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-ethyl-2-[(4-phenylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-ethyl-2-[(4-phenylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CCc1cc(=O)oc2nc(OCc3ccc(-c4ccccc4)cc3)[nH]c(=O)c12.
What is the InChIKey of 5-ethyl-2-[(4-phenylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is HODGERMNXXDOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-2-15-12-18(25)28-21-19(15)20(26)23-22(24-21)27-13-14-8-10-17(11-9-14)16-6-4-3-5-7-16/h3-12H,2,13H2,1H3,(H,23,24,26).
What are the key properties of 5-ethyl-2-[(4-phenylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
5-ethyl-2-[(4-phenylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 374.40 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[(4-phenylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 59304628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).