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

C12H15BrN4O2 — CID 71129506

IUPAC2-amino-6-bromo-8-(2-ethoxyethyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCCOCCn1c(=O)c(Br)cc2c(C)nc(N)nc21
InChIInChI=1S/C12H15BrN4O2/c1-3-19-5-4-17-10-8(6-9(13)11(17)18)7(2)15-12(14)16-10/h6H,3-5H2,1-2H3,(H2,14,15,16)
InChIKeyPYBKIGDLSDUZIB-UHFFFAOYSA-N
MW327.18 g/mol
LogP1.48
Rot. Bonds4

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

2-amino-6-bromo-8-(2-ethoxyethyl)-4-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 71129506) has the molecular formula C12H15BrN4O2 and a molecular weight of 327.18 g/mol. Its IUPAC name is 2-amino-6-bromo-8-(2-ethoxyethyl)-4-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-6-bromo-8-(2-ethoxyethyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID71129506
Molecular FormulaC12H15BrN4O2
Molecular Weight327.18 g/mol
Exact Mass326.04
IUPAC Name2-amino-6-bromo-8-(2-ethoxyethyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCCOCCn1c(=O)c(Br)cc2c(C)nc(N)nc21
InChIInChI=1S/C12H15BrN4O2/c1-3-19-5-4-17-10-8(6-9(13)11(17)18)7(2)15-12(14)16-10/h6H,3-5H2,1-2H3,(H2,14,15,16)
InChIKeyPYBKIGDLSDUZIB-UHFFFAOYSA-N
XLogP1.48
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 51.48
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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Related Compounds

2-amino-6-bromo-8-cyclopropyl-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 71131657
6-bromo-2-(ethylamino)-4-methyl-8-(3-propan-2-yloxypropyl)pyrido[2,3-d]pyrimidin-7-one
CID 57448432
2-amino-6-bromo-4-methyl-8-(4-methyl-1,4-oxazepan-6-yl)pyrido[2,3-d]pyrimidin-7-one
CID 42609544
1-(2-ethoxyethyl)pyrrole-2,5-diamine
CID 89286556
2-amino-6-[1-(ethoxymethyl)imidazol-2-yl]-4-methyl-8-[(3S)-oxan-3-yl]pyrido[2,3-d]pyrimidin-7-one
CID 25050348
5-bromo-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylpyrimidin-4-one
CID 104565670
2-amino-8-ethyl-6-(2-fluoro-3,5-dimethylcyclohexen-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 137384075
2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethylcarbamic acid
CID 90884300
CID 88936750
CID 88936750
2-amino-8-ethyl-4-methyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one;azane;8-ethyl-4-methyl-2-methylsulfanyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one
CID 160777800
2-amino-8-ethyl-6-(1H-imidazol-5-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(1H-imidazol-5-yl)-4-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
CID 158398309
6-amino-2-methyl-3-(2-propoxyethyl)pyrimidin-4-one
CID 59073654

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-bromo-8-(2-ethoxyethyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-6-bromo-8-(2-ethoxyethyl)-4-methylpyrido[2,3-d]pyrimidin-7-one (CID 71129506) is 2-amino-6-bromo-8-(2-ethoxyethyl)-4-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-6-bromo-8-(2-ethoxyethyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-6-bromo-8-(2-ethoxyethyl)-4-methylpyrido[2,3-d]pyrimidin-7-one is CCOCCn1c(=O)c(Br)cc2c(C)nc(N)nc21.
What is the InChIKey of 2-amino-6-bromo-8-(2-ethoxyethyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is PYBKIGDLSDUZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O2/c1-3-19-5-4-17-10-8(6-9(13)11(17)18)7(2)15-12(14)16-10/h6H,3-5H2,1-2H3,(H2,14,15,16).
What are the key properties of 2-amino-6-bromo-8-(2-ethoxyethyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
2-amino-6-bromo-8-(2-ethoxyethyl)-4-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 327.18 g/mol, XLogP of 1.48, 4 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-(2-ethoxyethyl)-4-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 71129506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).