5-(2-methoxyethylamino)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione

C13H18N4O3 — CID 16802512

IUPAC5-(2-methoxyethylamino)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOCCNc1c(C)cnc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C13H18N4O3/c1-8-7-15-11-9(10(8)14-5-6-20-4)12(18)17(3)13(19)16(11)2/h7H,5-6H2,1-4H3,(H,14,15)
InChIKeyLBDOJCDBSCEZCY-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.00
Rot. Bonds4

About 5-(2-methoxyethylamino)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione

5-(2-methoxyethylamino)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 16802512) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-(2-methoxyethylamino)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2-methoxyethylamino)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID16802512
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name5-(2-methoxyethylamino)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOCCNc1c(C)cnc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C13H18N4O3/c1-8-7-15-11-9(10(8)14-5-6-20-4)12(18)17(3)13(19)16(11)2/h7H,5-6H2,1-4H3,(H,14,15)
InChIKeyLBDOJCDBSCEZCY-UHFFFAOYSA-N
XLogP-0.00
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethylamino)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(2-methoxyethylamino)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 16802512) is 5-(2-methoxyethylamino)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(2-methoxyethylamino)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(2-methoxyethylamino)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione is COCCNc1c(C)cnc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 5-(2-methoxyethylamino)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is LBDOJCDBSCEZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-8-7-15-11-9(10(8)14-5-6-20-4)12(18)17(3)13(19)16(11)2/h7H,5-6H2,1-4H3,(H,14,15).
What are the key properties of 5-(2-methoxyethylamino)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione?
5-(2-methoxyethylamino)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 278.31 g/mol, XLogP of -0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethylamino)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 16802512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).