5-ethoxy-1-methyl-3-prop-2-ynylpyrido[2,3-d]pyrimidine-2,4-dione

C13H13N3O3 — CID 18567379

IUPAC5-ethoxy-1-methyl-3-prop-2-ynylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESC#CCn1c(=O)c2c(OCC)ccnc2n(C)c1=O
InChIInChI=1S/C13H13N3O3/c1-4-8-16-12(17)10-9(19-5-2)6-7-14-11(10)15(3)13(16)18/h1,6-7H,5,8H2,2-3H3
InChIKeyQINMWTUPZOFBAI-UHFFFAOYSA-N
MW259.26 g/mol
LogP0.13
Rot. Bonds3

About 5-ethoxy-1-methyl-3-prop-2-ynylpyrido[2,3-d]pyrimidine-2,4-dione

5-ethoxy-1-methyl-3-prop-2-ynylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 18567379) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 5-ethoxy-1-methyl-3-prop-2-ynylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethoxy-1-methyl-3-prop-2-ynylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID18567379
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name5-ethoxy-1-methyl-3-prop-2-ynylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESC#CCn1c(=O)c2c(OCC)ccnc2n(C)c1=O
InChIInChI=1S/C13H13N3O3/c1-4-8-16-12(17)10-9(19-5-2)6-7-14-11(10)15(3)13(16)18/h1,6-7H,5,8H2,2-3H3
InChIKeyQINMWTUPZOFBAI-UHFFFAOYSA-N
XLogP0.13
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-methyl-3-prop-2-ynylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-ethoxy-1-methyl-3-prop-2-ynylpyrido[2,3-d]pyrimidine-2,4-dione (CID 18567379) is 5-ethoxy-1-methyl-3-prop-2-ynylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethoxy-1-methyl-3-prop-2-ynylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-ethoxy-1-methyl-3-prop-2-ynylpyrido[2,3-d]pyrimidine-2,4-dione is C#CCn1c(=O)c2c(OCC)ccnc2n(C)c1=O.
What is the InChIKey of 5-ethoxy-1-methyl-3-prop-2-ynylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is QINMWTUPZOFBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-4-8-16-12(17)10-9(19-5-2)6-7-14-11(10)15(3)13(16)18/h1,6-7H,5,8H2,2-3H3.
What are the key properties of 5-ethoxy-1-methyl-3-prop-2-ynylpyrido[2,3-d]pyrimidine-2,4-dione?
5-ethoxy-1-methyl-3-prop-2-ynylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 259.26 g/mol, XLogP of 0.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-methyl-3-prop-2-ynylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 18567379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).