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

C13H14N2O4 — CID 15605364

IUPAC2-(cyclopropylmethoxy)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OCC3CC3)[nH]c(=O)c12
InChIInChI=1S/C13H14N2O4/c1-2-8-5-9(16)19-12-10(8)11(17)14-13(15-12)18-6-7-3-4-7/h5,7H,2-4,6H2,1H3,(H,14,15,17)
InChIKeyNNZVWPWYIYVEKF-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.23
Rot. Bonds4

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

2-(cyclopropylmethoxy)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 15605364) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID15605364
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name2-(cyclopropylmethoxy)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OCC3CC3)[nH]c(=O)c12
InChIInChI=1S/C13H14N2O4/c1-2-8-5-9(16)19-12-10(8)11(17)14-13(15-12)18-6-7-3-4-7/h5,7H,2-4,6H2,1H3,(H,14,15,17)
InChIKeyNNZVWPWYIYVEKF-UHFFFAOYSA-N
XLogP1.23
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 2-(cyclopropylmethoxy)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 15605364) is 2-(cyclopropylmethoxy)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 2-(cyclopropylmethoxy)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 2-(cyclopropylmethoxy)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CCc1cc(=O)oc2nc(OCC3CC3)[nH]c(=O)c12.
What is the InChIKey of 2-(cyclopropylmethoxy)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is NNZVWPWYIYVEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-2-8-5-9(16)19-12-10(8)11(17)14-13(15-12)18-6-7-3-4-7/h5,7H,2-4,6H2,1H3,(H,14,15,17).
What are the key properties of 2-(cyclopropylmethoxy)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
2-(cyclopropylmethoxy)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 262.26 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 15605364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).