5-ethyl-2-phenylmethoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione

C16H14N2O4 — CID 57397199

IUPAC5-ethyl-2-phenylmethoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OCc3ccccc3)[nH]c(=O)c12
InChIInChI=1S/C16H14N2O4/c1-2-11-8-12(19)22-15-13(11)14(20)17-16(18-15)21-9-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,17,18,20)
InChIKeyAICBXIXJYABWJP-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.02
Rot. Bonds4

About 5-ethyl-2-phenylmethoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione

5-ethyl-2-phenylmethoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 57397199) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 5-ethyl-2-phenylmethoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-ethyl-2-phenylmethoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID57397199
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name5-ethyl-2-phenylmethoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OCc3ccccc3)[nH]c(=O)c12
InChIInChI=1S/C16H14N2O4/c1-2-11-8-12(19)22-15-13(11)14(20)17-16(18-15)21-9-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,17,18,20)
InChIKeyAICBXIXJYABWJP-UHFFFAOYSA-N
XLogP2.02
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-2-[[2-(trifluoromethyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 15605498
5-benzyl-2-pent-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 24954940
3-[2-[(5-ethyl-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl)oxymethyl]phenyl]benzonitrile
CID 57390148
3-[3-[(5-ethyl-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl)oxymethyl]phenyl]benzonitrile
CID 57397202
5-ethyl-2-[[4-(trifluoromethyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 57400595
5-ethyl-2-[(2-methoxyphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 57395376
5-ethyl-2-[(3-methoxyphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 57398905
5-ethyl-2-[[3-(trifluoromethyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 57400594
5-ethyl-2-(2-phenylethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 57397200
5-ethyl-2-[(4-methoxyphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 57397201
5-ethyl-2-[(4-fluorophenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 15605499
5-ethyl-2-[(1R)-1-(2-fluorophenyl)butoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 58317017

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-phenylmethoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-ethyl-2-phenylmethoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 57397199) is 5-ethyl-2-phenylmethoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-ethyl-2-phenylmethoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-ethyl-2-phenylmethoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CCc1cc(=O)oc2nc(OCc3ccccc3)[nH]c(=O)c12.
What is the InChIKey of 5-ethyl-2-phenylmethoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is AICBXIXJYABWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-2-11-8-12(19)22-15-13(11)14(20)17-16(18-15)21-9-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,17,18,20).
What are the key properties of 5-ethyl-2-phenylmethoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
5-ethyl-2-phenylmethoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 298.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-phenylmethoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 57397199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).