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

C14H19BrN4O2 — CID 57448429

IUPAC6-bromo-8-(2-ethoxyethyl)-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCCNc1nc(C)c2cc(Br)c(=O)n(CCOCC)c2n1
InChIInChI=1S/C14H19BrN4O2/c1-4-16-14-17-9(3)10-8-11(15)13(20)19(12(10)18-14)6-7-21-5-2/h8H,4-7H2,1-3H3,(H,16,17,18)
InChIKeyLNWTXVBBJHOKOI-UHFFFAOYSA-N
MW355.24 g/mol
LogP2.33
Rot. Bonds6

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

6-bromo-8-(2-ethoxyethyl)-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 57448429) has the molecular formula C14H19BrN4O2 and a molecular weight of 355.24 g/mol. Its IUPAC name is 6-bromo-8-(2-ethoxyethyl)-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-bromo-8-(2-ethoxyethyl)-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID57448429
Molecular FormulaC14H19BrN4O2
Molecular Weight355.24 g/mol
Exact Mass354.07
IUPAC Name6-bromo-8-(2-ethoxyethyl)-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCCNc1nc(C)c2cc(Br)c(=O)n(CCOCC)c2n1
InChIInChI=1S/C14H19BrN4O2/c1-4-16-14-17-9(3)10-8-11(15)13(20)19(12(10)18-14)6-7-21-5-2/h8H,4-7H2,1-3H3,(H,16,17,18)
InChIKeyLNWTXVBBJHOKOI-UHFFFAOYSA-N
XLogP2.33
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 52.33
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-(2-ethoxyethyl)-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-bromo-8-(2-ethoxyethyl)-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one (CID 57448429) is 6-bromo-8-(2-ethoxyethyl)-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-bromo-8-(2-ethoxyethyl)-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-bromo-8-(2-ethoxyethyl)-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one is CCNc1nc(C)c2cc(Br)c(=O)n(CCOCC)c2n1.
What is the InChIKey of 6-bromo-8-(2-ethoxyethyl)-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is LNWTXVBBJHOKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4O2/c1-4-16-14-17-9(3)10-8-11(15)13(20)19(12(10)18-14)6-7-21-5-2/h8H,4-7H2,1-3H3,(H,16,17,18).
What are the key properties of 6-bromo-8-(2-ethoxyethyl)-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one?
6-bromo-8-(2-ethoxyethyl)-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 355.24 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-(2-ethoxyethyl)-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 57448429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).