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

C15H21BrN4O2 — CID 57448431

IUPAC6-bromo-8-(3-ethoxypropyl)-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCCNc1nc(C)c2cc(Br)c(=O)n(CCCOCC)c2n1
InChIInChI=1S/C15H21BrN4O2/c1-4-17-15-18-10(3)11-9-12(16)14(21)20(13(11)19-15)7-6-8-22-5-2/h9H,4-8H2,1-3H3,(H,17,18,19)
InChIKeyMOVZKOKKSKWSEX-UHFFFAOYSA-N
MW369.26 g/mol
LogP2.72
Rot. Bonds7

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

6-bromo-8-(3-ethoxypropyl)-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 57448431) has the molecular formula C15H21BrN4O2 and a molecular weight of 369.26 g/mol. Its IUPAC name is 6-bromo-8-(3-ethoxypropyl)-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-bromo-8-(3-ethoxypropyl)-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID57448431
Molecular FormulaC15H21BrN4O2
Molecular Weight369.26 g/mol
Exact Mass368.08
IUPAC Name6-bromo-8-(3-ethoxypropyl)-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCCNc1nc(C)c2cc(Br)c(=O)n(CCCOCC)c2n1
InChIInChI=1S/C15H21BrN4O2/c1-4-17-15-18-10(3)11-9-12(16)14(21)20(13(11)19-15)7-6-8-22-5-2/h9H,4-8H2,1-3H3,(H,17,18,19)
InChIKeyMOVZKOKKSKWSEX-UHFFFAOYSA-N
XLogP2.72
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 52.72
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 6-bromo-8-(3-ethoxypropyl)-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-bromo-8-(3-ethoxypropyl)-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one (CID 57448431) is 6-bromo-8-(3-ethoxypropyl)-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-bromo-8-(3-ethoxypropyl)-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-bromo-8-(3-ethoxypropyl)-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one is CCNc1nc(C)c2cc(Br)c(=O)n(CCCOCC)c2n1.
What is the InChIKey of 6-bromo-8-(3-ethoxypropyl)-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is MOVZKOKKSKWSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN4O2/c1-4-17-15-18-10(3)11-9-12(16)14(21)20(13(11)19-15)7-6-8-22-5-2/h9H,4-8H2,1-3H3,(H,17,18,19).
What are the key properties of 6-bromo-8-(3-ethoxypropyl)-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one?
6-bromo-8-(3-ethoxypropyl)-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 369.26 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-(3-ethoxypropyl)-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 57448431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).