6-bromo-2-(ethylamino)-4-methyl-8-(3-propan-2-yloxypropyl)pyrido[2,3-d]pyrimidin-7-one

C16H23BrN4O2 — CID 57448432

IUPAC6-bromo-2-(ethylamino)-4-methyl-8-(3-propan-2-yloxypropyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCCNc1nc(C)c2cc(Br)c(=O)n(CCCOC(C)C)c2n1
InChIInChI=1S/C16H23BrN4O2/c1-5-18-16-19-11(4)12-9-13(17)15(22)21(14(12)20-16)7-6-8-23-10(2)3/h9-10H,5-8H2,1-4H3,(H,18,19,20)
InChIKeyLMLIISHGMOULFX-UHFFFAOYSA-N
MW383.29 g/mol
LogP3.11
Rot. Bonds7

About 6-bromo-2-(ethylamino)-4-methyl-8-(3-propan-2-yloxypropyl)pyrido[2,3-d]pyrimidin-7-one

6-bromo-2-(ethylamino)-4-methyl-8-(3-propan-2-yloxypropyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 57448432) has the molecular formula C16H23BrN4O2 and a molecular weight of 383.29 g/mol. Its IUPAC name is 6-bromo-2-(ethylamino)-4-methyl-8-(3-propan-2-yloxypropyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-bromo-2-(ethylamino)-4-methyl-8-(3-propan-2-yloxypropyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID57448432
Molecular FormulaC16H23BrN4O2
Molecular Weight383.29 g/mol
Exact Mass382.10
IUPAC Name6-bromo-2-(ethylamino)-4-methyl-8-(3-propan-2-yloxypropyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCCNc1nc(C)c2cc(Br)c(=O)n(CCCOC(C)C)c2n1
InChIInChI=1S/C16H23BrN4O2/c1-5-18-16-19-11(4)12-9-13(17)15(22)21(14(12)20-16)7-6-8-23-10(2)3/h9-10H,5-8H2,1-4H3,(H,18,19,20)
InChIKeyLMLIISHGMOULFX-UHFFFAOYSA-N
XLogP3.11
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-bromo-2-(ethylamino)-4-methyl-8-(3-propan-2-yloxypropyl)pyrido[2,3-d]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(ethylamino)-4-methyl-8-(3-propan-2-yloxypropyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-bromo-2-(ethylamino)-4-methyl-8-(3-propan-2-yloxypropyl)pyrido[2,3-d]pyrimidin-7-one (CID 57448432) is 6-bromo-2-(ethylamino)-4-methyl-8-(3-propan-2-yloxypropyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-bromo-2-(ethylamino)-4-methyl-8-(3-propan-2-yloxypropyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-bromo-2-(ethylamino)-4-methyl-8-(3-propan-2-yloxypropyl)pyrido[2,3-d]pyrimidin-7-one is CCNc1nc(C)c2cc(Br)c(=O)n(CCCOC(C)C)c2n1.
What is the InChIKey of 6-bromo-2-(ethylamino)-4-methyl-8-(3-propan-2-yloxypropyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is LMLIISHGMOULFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN4O2/c1-5-18-16-19-11(4)12-9-13(17)15(22)21(14(12)20-16)7-6-8-23-10(2)3/h9-10H,5-8H2,1-4H3,(H,18,19,20).
What are the key properties of 6-bromo-2-(ethylamino)-4-methyl-8-(3-propan-2-yloxypropyl)pyrido[2,3-d]pyrimidin-7-one?
6-bromo-2-(ethylamino)-4-methyl-8-(3-propan-2-yloxypropyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 383.29 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(ethylamino)-4-methyl-8-(3-propan-2-yloxypropyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 57448432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).