2-amino-6-bromo-8-(3-ethoxypropyl)-4-methylpyrido[2,3-d]pyrimidin-7-one

C13H17BrN4O2 — CID 71129505

IUPAC2-amino-6-bromo-8-(3-ethoxypropyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCCOCCCn1c(=O)c(Br)cc2c(C)nc(N)nc21
InChIInChI=1S/C13H17BrN4O2/c1-3-20-6-4-5-18-11-9(7-10(14)12(18)19)8(2)16-13(15)17-11/h7H,3-6H2,1-2H3,(H2,15,16,17)
InChIKeyPPEIXJSKIZSDNF-UHFFFAOYSA-N
MW341.21 g/mol
LogP1.87
Rot. Bonds5

About 2-amino-6-bromo-8-(3-ethoxypropyl)-4-methylpyrido[2,3-d]pyrimidin-7-one

2-amino-6-bromo-8-(3-ethoxypropyl)-4-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 71129505) has the molecular formula C13H17BrN4O2 and a molecular weight of 341.21 g/mol. Its IUPAC name is 2-amino-6-bromo-8-(3-ethoxypropyl)-4-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-6-bromo-8-(3-ethoxypropyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID71129505
Molecular FormulaC13H17BrN4O2
Molecular Weight341.21 g/mol
Exact Mass340.05
IUPAC Name2-amino-6-bromo-8-(3-ethoxypropyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCCOCCCn1c(=O)c(Br)cc2c(C)nc(N)nc21
InChIInChI=1S/C13H17BrN4O2/c1-3-20-6-4-5-18-11-9(7-10(14)12(18)19)8(2)16-13(15)17-11/h7H,3-6H2,1-2H3,(H2,15,16,17)
InChIKeyPPEIXJSKIZSDNF-UHFFFAOYSA-N
XLogP1.87
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-amino-6-bromo-8-(3-ethoxypropyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-6-bromo-8-(3-ethoxypropyl)-4-methylpyrido[2,3-d]pyrimidin-7-one (CID 71129505) is 2-amino-6-bromo-8-(3-ethoxypropyl)-4-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-6-bromo-8-(3-ethoxypropyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-6-bromo-8-(3-ethoxypropyl)-4-methylpyrido[2,3-d]pyrimidin-7-one is CCOCCCn1c(=O)c(Br)cc2c(C)nc(N)nc21.
What is the InChIKey of 2-amino-6-bromo-8-(3-ethoxypropyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is PPEIXJSKIZSDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O2/c1-3-20-6-4-5-18-11-9(7-10(14)12(18)19)8(2)16-13(15)17-11/h7H,3-6H2,1-2H3,(H2,15,16,17).
What are the key properties of 2-amino-6-bromo-8-(3-ethoxypropyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
2-amino-6-bromo-8-(3-ethoxypropyl)-4-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 341.21 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-bromo-8-(3-ethoxypropyl)-4-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 71129505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).